data_1jwd_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 1jwd _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 114.962 1.468 . . . . 0.0 114.962 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -53.97 -45.49 40.65 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.122 2.548 . . . . 0.0 112.777 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.9 tp -72.82 -47.32 47.39 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.246 177.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -51.74 -48.88 63.46 Favored 'General case' 0 C--N 1.337 0.033 0 C-N-CA 122.918 0.487 . . . . 0.0 110.623 -175.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -62.97 -38.63 91.88 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.293 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.18 -52.52 54.4 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.972 -0.455 . . . . 0.0 111.117 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.9 pt -57.59 -46.6 86.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 174.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.3 -45.49 5.26 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 125.014 1.292 . . . . 0.0 112.604 171.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.42 -60.95 2.78 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.161 0.985 . . . . 0.0 110.222 178.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -52.32 -47.39 66.01 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.529 0.732 . . . . 0.0 110.351 178.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.24 -47.76 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.95 -53.27 47.19 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 124.868 1.223 . . . . 0.0 110.169 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.8 mt -49.55 -48.18 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 123.192 0.597 . . . . 0.0 110.213 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -60.86 -60.83 3.18 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.826 0.346 . . . . 0.0 110.783 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -67.08 -28.0 67.82 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -168.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -52.97 -46.43 68.23 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 169.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -80.92 -48.16 12.7 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 118.111 -0.947 . . . . 0.0 111.973 -178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.9 p -55.54 -41.71 73.59 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 119.992 1.269 . . . . 0.0 110.112 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.164 0 C-N-CA 125.408 1.48 . . . . 0.0 114.157 171.796 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 . . . . . 0 CA--C 1.537 0.451 0 CA-C-O 121.435 0.636 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.0 m -148.32 145.56 28.18 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.377 2.271 . . . . 0.0 105.302 -174.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 tt -148.67 127.45 12.57 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -168.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.9 m -75.81 158.32 32.3 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 119.136 0.88 . . . . 0.0 111.486 -169.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.6 pttt -63.25 -50.52 69.88 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -169.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -64.14 -34.46 78.11 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.872 -1.143 . . . . 0.0 110.267 176.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.3 -40.27 96.89 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.124 0.57 . . . . 0.0 110.151 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -57.72 -49.03 77.89 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 170.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -55.79 -43.02 76.42 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 119.187 -1.005 . . . . 0.0 110.389 176.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -60.75 -36.78 79.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.968 0.907 . . . . 0.0 111.816 176.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tt -58.73 -57.01 14.9 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 123.889 0.876 . . . . 0.0 109.361 169.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.8 mt -57.18 -53.47 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-O 119.377 -0.345 . . . . 0.0 110.579 -175.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -52.64 -39.47 61.79 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.969 -0.539 . . . . 0.0 112.357 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -80.72 -56.54 4.08 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.673 0.67 . . . . 0.0 110.917 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -73.99 -48.52 29.74 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.569 0.748 . . . . 0.0 111.22 -168.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 177.166 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 CA--C 1.53 0.175 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.62 -46.25 66.97 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.412 0.625 . . . . 0.0 111.116 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -64.19 -43.36 95.31 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.5 mm -57.41 -46.02 85.6 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 CA-C-O 118.423 -0.798 . . . . 0.0 110.988 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.253 14.5 m -70.48 -32.32 49.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 120.232 1.378 . . . . 0.0 112.408 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -61.03 -48.04 83.62 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.529 1.059 . . . . 0.0 109.905 169.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.82 -44.07 81.64 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.323 -0.861 . . . . 0.0 111.038 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.9 ttp -57.38 -51.72 68.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.474 1.11 . . . . 0.0 108.775 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -50.29 -53.44 28.55 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 123.313 0.645 . . . . 0.0 109.798 173.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.89 -40.85 77.01 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.943 0.792 . . . . 0.0 113.064 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.49 -58.66 6.31 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.284 0.493 . . . . 0.0 110.204 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -67.87 -27.37 66.62 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.293 -0.88 . . . . 0.0 112.821 -173.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -49.73 -26.76 4.09 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 126.036 1.735 . . . . 0.0 112.404 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -43.25 -37.37 2.14 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 169.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -148.44 22.11 1.05 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 168.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.301 0.7 OUTLIER 63.36 -43.17 0.22 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 129.142 2.977 . . . . 0.0 116.112 179.093 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -74.24 -52.38 12.53 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.326 -0.859 . . . . 0.0 111.45 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -138.14 156.64 47.54 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.459 0.704 . . . . 0.0 111.436 -169.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 t -80.99 142.79 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 169.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -113.54 142.58 45.78 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 173.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -45.06 -55.84 5.24 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.418 1.087 . . . . 0.0 113.782 -170.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -54.66 -43.22 72.19 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.611 -0.68 . . . . 0.0 110.926 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -69.49 -38.43 77.66 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.799 0.84 . . . . 0.0 109.899 -176.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -54.02 -52.59 60.34 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.257 0.623 . . . . 0.0 109.969 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.1 mm -59.09 -53.65 45.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 118.422 0.556 . . . . 0.0 110.199 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.0 m -51.62 -44.1 62.8 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 121.531 -0.731 . . . . 0.0 111.973 177.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -65.05 -45.23 86.24 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 122.936 0.494 . . . . 0.0 110.173 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.4 mt -56.51 -34.47 67.02 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.865 0.757 . . . . 0.0 110.314 172.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.13 -49.94 64.75 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 168.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.51 -46.03 84.26 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.818 0.809 . . . . 0.0 111.29 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 tp -57.91 -46.5 84.89 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.707 0.803 . . . . 0.0 109.891 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.98 -48.05 82.95 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.561 0.744 . . . . 0.0 110.467 175.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -55.47 -46.19 76.87 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 117.932 0.333 . . . . 0.0 110.776 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.417 ' C ' ' H ' ' A' ' 85' ' ' ASN . 77.9 mt -56.6 -44.91 82.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 174.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -70.82 38.53 0.05 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.635 0.774 . . . . 0.0 112.841 170.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.417 ' H ' ' C ' ' A' ' 83' ' ' ILE . 3.2 p30 -34.91 -41.72 0.14 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 128.58 2.752 . . . . 0.0 113.804 177.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -44.33 -48.91 9.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.662 0.785 . . . . 0.0 111.264 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.53 -39.44 76.6 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.797 0.839 . . . . 0.0 111.391 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.452 -0.335 0 C-N-CA 123.596 0.758 . . . . 0.0 109.398 -177.353 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.463 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.81 -40.65 82.68 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.606 2.204 . . . . 0.0 112.607 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 52.0 tp -79.68 -44.11 21.48 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -49.48 -49.14 46.84 Favored 'General case' 0 C--O 1.227 -0.096 0 C-N-CA 123.853 0.861 . . . . 0.0 110.641 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -59.88 -39.54 85.64 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.433 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.71 -54.11 18.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.817 -0.552 . . . . 0.0 111.253 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.5 pt -58.07 -42.65 83.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.87 -45.14 18.87 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 125.613 1.578 . . . . 0.0 111.995 171.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -60.73 3.28 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.009 0.905 . . . . 0.0 110.307 178.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -51.05 -47.18 61.8 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.504 0.722 . . . . 0.0 110.212 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 61.4 mt -60.42 -47.95 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.626 0.77 . . . . 0.0 110.065 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.25 -54.3 38.41 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 124.883 1.23 . . . . 0.0 110.124 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.2 mt -50.61 -49.83 24.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -57.75 -59.02 5.85 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.769 -0.196 . . . . 0.0 111.13 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -69.62 -31.88 70.27 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 122.043 -0.411 . . . . 0.0 111.691 -170.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -51.52 -50.24 60.36 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 169.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -65.6 -51.56 58.74 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 117.399 -1.286 . . . . 0.0 112.428 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.6 m -45.83 -43.59 13.54 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 120.505 1.502 . . . . 0.0 110.864 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.697 0 C-N-CA 125.503 1.525 . . . . 0.0 114.186 170.005 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 . . . . . 0 C--O 1.235 0.305 0 CA-C-O 122.476 1.131 . . . . 0.0 108.99 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.33 160.06 40.71 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 126.87 2.068 . . . . 0.0 107.379 -173.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 70.5 mt -133.48 131.36 39.77 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 170.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 49.0 m -77.93 154.68 31.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 119.047 0.839 . . . . 0.0 109.539 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -52.47 -44.66 65.71 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -168.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -80.53 -29.7 37.17 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.231 -0.918 . . . . 0.0 111.786 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -59.63 -42.7 93.29 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 173.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -55.09 -50.46 69.11 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.268 0.627 . . . . 0.0 110.228 170.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.413 ' HZ2' ' CG1' ' B' ' 54' ' ' VAL . 40.3 ttmt -52.3 -47.42 65.94 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.574 1.079 . . . . 0.0 109.948 175.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -45.13 81.37 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.52 0.6 . . . . 0.0 110.657 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 tt -49.35 -55.91 11.32 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 122.88 0.472 . . . . 0.0 110.194 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 47.2 mt -62.19 -50.68 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.305 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -53.57 -42.08 67.19 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.488 0.585 . . . . 0.0 110.846 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -53.74 13.07 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -73.45 -62.87 1.33 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -175.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 -179.705 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 C--O 1.224 -0.249 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.54 -50.06 60.77 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.264 0.554 . . . . 0.0 111.359 171.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.91 -43.69 98.12 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 36.5 mm -55.68 -43.9 75.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 118.595 -0.717 . . . . 0.0 110.823 177.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.413 ' CG1' ' HZ2' ' B' ' 35' ' ' LYS 0.264 13.1 m -69.2 -37.13 75.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-N 119.997 1.271 . . . . 0.0 112.486 179.045 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -58.66 -51.67 68.93 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.3 0.954 . . . . 0.0 109.777 172.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tt -54.33 -45.67 72.73 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.789 0.836 . . . . 0.0 111.047 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -61.92 -44.64 96.36 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.094 0.958 . . . . 0.0 109.834 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -54.29 -53.01 59.52 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 172.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -56.94 -39.2 74.09 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.3 mt -63.54 -56.18 17.99 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.26 0.624 . . . . 0.0 111.192 173.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.63 -26.25 59.76 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.428 -0.795 . . . . 0.0 112.854 -171.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 . . . . . 0 C--O 1.233 0.203 0 C-N-CA 123.254 0.622 . . . . 0.0 110.554 -174.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -94.97 117.32 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 C-N-CA 125.753 1.621 . . . . 0.0 107.467 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -78.81 148.58 32.85 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 170.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -39.69 -54.18 2.09 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -66.11 -32.84 74.53 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 120.821 -1.175 . . . . 0.0 111.289 -176.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -69.44 -40.22 77.34 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -55.24 -53.95 49.57 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.111 0.564 . . . . 0.0 110.15 170.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 31.9 mm -55.83 -54.33 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 118.229 0.468 . . . . 0.0 110.141 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 72.7 m -49.07 -51.82 29.22 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.9 0.88 . . . . 0.0 110.804 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -62.7 -42.0 99.42 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 119.198 -0.43 . . . . 0.0 110.863 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 70.6 mt -57.49 -35.04 69.7 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.504 1.047 . . . . 0.0 110.061 172.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.87 -51.49 57.84 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 168.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.04 -42.96 73.31 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.689 -0.889 . . . . 0.0 111.047 175.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.33 -44.77 96.64 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.438 1.095 . . . . 0.0 109.745 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.78 -45.18 86.35 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.165 0.586 . . . . 0.0 110.759 173.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 16.9 tpt -60.69 -43.23 98.01 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.093 -0.379 . . . . 0.0 111.293 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 71.3 mt -58.87 -44.08 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -73.32 54.46 0.43 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.379 0.672 . . . . 0.0 109.983 169.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -56.56 -32.6 65.33 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.336 -0.852 . . . . 0.0 112.698 -169.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -51.93 -39.82 59.77 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.067 0.547 . . . . 0.0 111.74 173.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.65 -39.91 95.37 Favored 'General case' 0 N--CA 1.458 -0.067 0 C-N-CA 123.118 0.567 . . . . 0.0 110.44 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.3 mt -64.89 -52.94 53.82 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -68.3 -37.19 80.39 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 117.302 -1.832 . . . . 0.0 110.463 177.703 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.445 -0.706 0 CA-C-O 117.545 -1.217 . . . . 0.0 113.036 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.84 -53.4 5.6 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.458 2.105 . . . . 0.0 112.826 -175.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -70.12 -44.94 67.92 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.002 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -53.59 -47.8 69.81 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 122.925 0.49 . . . . 0.0 111.092 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -62.68 -38.92 92.26 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.359 0.527 . . . . 0.0 110.839 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.07 -54.26 27.99 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 121.919 -0.488 . . . . 0.0 111.303 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.3 pt -57.9 -41.98 81.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-N 118.796 0.725 . . . . 0.0 109.104 175.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.0 -44.07 13.48 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 125.389 1.471 . . . . 0.0 112.444 169.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.94 -60.41 3.9 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.295 1.047 . . . . 0.0 109.901 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -52.11 -47.34 65.33 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.496 0.718 . . . . 0.0 110.245 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.4 mt -60.22 -54.53 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.187 0.995 . . . . 0.0 109.585 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.29 -55.26 22.79 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 125.077 1.323 . . . . 0.0 109.989 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.8 mt -50.8 -54.72 8.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 117.512 0.656 . . . . 0.0 109.53 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -57.49 -58.37 8.58 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.79 -174.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.72 -31.55 68.44 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 122.109 -0.369 . . . . 0.0 110.942 -171.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -58.98 -50.53 73.72 Favored 'General case' 0 CA--C 1.527 0.061 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 173.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.404 ' CZ ' ' HA ' ' A' ' 37' ' ' LEU . 3.0 m-85 -60.36 -46.21 90.75 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.406 175.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.1 t -54.95 -34.23 63.05 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.15 0.432 . . . . 0.0 110.66 175.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 C-N-CA 124.88 1.229 . . . . 0.0 112.921 171.692 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 111.709 0.262 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.4 p -147.6 138.89 23.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.909 1.684 . . . . 0.0 108.72 -177.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.2 mt -116.43 140.27 49.54 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 168.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.9 t -78.19 154.39 31.16 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 120.339 1.427 . . . . 0.0 108.519 169.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -53.18 -41.5 65.3 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.569 0.748 . . . . 0.0 112.959 -172.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -70.97 -32.33 69.15 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.986 -1.072 . . . . 0.0 111.147 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -63.61 -43.76 95.96 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -54.82 -49.2 71.6 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.762 0.425 . . . . 0.0 110.084 171.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -52.62 -50.47 63.04 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.014 -1.054 . . . . 0.0 110.341 176.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -56.5 -39.78 73.88 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.059 0.944 . . . . 0.0 111.745 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.404 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 5.3 tt -57.38 -56.21 24.85 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 123.906 0.882 . . . . 0.0 109.854 171.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.9 mt -56.87 -43.37 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 119.115 -0.469 . . . . 0.0 110.785 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -53.97 -48.62 70.14 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 117.981 0.355 . . . . 0.0 110.318 -175.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -75.57 -59.07 2.91 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.221 0.534 . . . . 0.0 110.173 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -67.38 -37.69 83.57 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -166.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 mp . . . . . 0 CA--C 1.537 0.446 0 CA-C-N 118.31 0.505 . . . . 0.0 110.836 172.762 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 C--O 1.222 -0.377 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.39 -49.47 54.36 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.482 0.583 . . . . 0.0 111.529 174.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.79 -43.21 96.99 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.3 mm -56.12 -45.65 80.75 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.806 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.256 17.1 m -72.24 -32.41 42.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 119.629 1.104 . . . . 0.0 112.259 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -58.56 -53.99 52.12 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.471 1.032 . . . . 0.0 109.128 169.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tt -54.73 -43.52 72.72 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.246 0.618 . . . . 0.0 111.142 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.1 ttp -59.28 -47.25 86.09 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 124.175 0.99 . . . . 0.0 109.148 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.07 -48.36 76.21 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -58.04 -47.13 84.03 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.349 0.26 . . . . 0.0 111.33 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mt -56.87 -64.58 0.83 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.61 0.719 . . . . 0.0 109.991 172.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -62.91 -19.3 64.07 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.637 1.175 . . . . 0.0 113.28 -170.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -43.28 -40.9 3.71 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 124.501 1.121 . . . . 0.0 111.695 174.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.39 -40.18 5.22 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 175.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -161.41 62.22 0.27 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.689 1.196 . . . . 0.0 109.391 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.292 49.3 p-10 26.26 -72.9 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 129.466 3.107 . . . . 0.0 118.167 177.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -80.18 -11.72 59.72 Favored 'General case' 0 C--O 1.238 0.463 0 O-C-N 121.084 -1.01 . . . . 0.0 112.776 -176.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -149.26 166.72 28.09 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.905 0.859 . . . . 0.0 113.144 -169.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 t -119.9 115.66 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 128.003 2.521 . . . . 0.0 106.895 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -78.76 147.33 33.4 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 172.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -43.9 -54.59 5.19 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.512 1.125 . . . . 0.0 113.638 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -53.82 -42.0 67.94 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.789 -0.569 . . . . 0.0 110.531 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -72.56 -39.71 67.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.379 1.072 . . . . 0.0 109.81 -175.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -53.11 -52.76 57.61 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.185 0.594 . . . . 0.0 109.819 169.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.1 mm -58.06 -50.72 77.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-N 118.25 0.477 . . . . 0.0 110.112 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.9 m -49.95 -47.98 52.29 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.467 0.707 . . . . 0.0 110.991 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -66.62 -44.09 83.01 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 119.054 -0.498 . . . . 0.0 110.767 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.6 mt -55.6 -36.53 67.03 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.48 1.036 . . . . 0.0 109.998 174.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.45 -53.46 41.0 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 168.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.86 -46.82 68.03 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 117.872 0.836 . . . . 0.0 111.281 174.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.2 tp -57.68 -45.48 85.55 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.525 1.13 . . . . 0.0 110.046 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.02 96.36 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.828 0.451 . . . . 0.0 111.044 175.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.1 tmm? -56.98 -46.83 81.95 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 122.1 -0.375 . . . . 0.0 109.997 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.94 -43.58 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 125.2 1.4 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -50.71 -54.8 20.26 Favored 'General case' 0 C--N 1.342 0.25 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 171.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 68.94 -54.58 0.56 Allowed 'General case' 0 CA--C 1.527 0.078 0 C-N-CA 126.976 2.11 . . . . 0.0 113.992 171.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -49.89 -42.01 46.98 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.854 0.862 . . . . 0.0 110.039 173.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.35 -44.04 61.96 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.478 0.711 . . . . 0.0 111.632 172.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 21.9 mt . . . . . 0 N--CA 1.456 -0.173 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 176.846 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.446 -0.65 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -58.05 -41.79 64.45 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.943 1.762 . . . . 0.0 113.893 -173.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 60.2 tp -80.05 -46.97 15.61 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.5 -35.22 69.95 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 119.409 -0.329 . . . . 0.0 111.709 -170.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -62.44 -40.72 97.48 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.652 0.66 . . . . 0.0 111.783 173.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.01 -51.4 39.58 Favored 'General case' 0 CA--C 1.519 -0.239 0 O-C-N 121.631 -0.668 . . . . 0.0 110.402 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 pt -56.79 -44.89 82.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 118.915 -1.114 . . . . 0.0 108.222 172.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.44 -44.48 5.16 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.726 1.155 . . . . 0.0 112.651 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -62.09 2.02 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 117.979 0.89 . . . . 0.0 110.624 177.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -49.57 -49.73 45.27 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.08 0.952 . . . . 0.0 109.747 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.76 -50.75 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.295 -176.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.85 -54.78 32.78 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.8 mt -49.84 -54.82 6.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -57.27 -62.51 1.71 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 120.957 0.408 . . . . 0.0 111.671 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.89 -30.69 69.24 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.642 -0.661 . . . . 0.0 111.7 -168.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -60.12 -47.24 86.73 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.777 0.717 . . . . 0.0 109.458 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -58.59 -46.56 86.71 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 118.398 -0.81 . . . . 0.0 111.338 174.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.5 p -50.51 -48.71 56.89 Favored 'General case' 0 C--N 1.341 0.206 0 CA-C-N 118.829 0.741 . . . . 0.0 109.678 177.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 C-N-CA 125.973 1.749 . . . . 0.0 114.531 175.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 37.6 p -149.18 134.73 18.58 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.59 1.156 . . . . 0.0 109.9 -172.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 58.3 mt -110.23 146.59 35.35 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 168.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.2 p -78.44 155.82 29.71 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.429 1.013 . . . . 0.0 108.877 168.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -57.64 -42.13 82.79 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.467 -0.771 . . . . 0.0 112.579 -173.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -67.8 -37.52 82.12 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.774 -1.204 . . . . 0.0 110.729 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.0 -40.37 88.99 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.496 -0.753 . . . . 0.0 110.346 175.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -54.81 -49.03 71.99 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 170.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -54.11 -40.61 67.47 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.092 -1.005 . . . . 0.0 111.349 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.3 -47.87 82.37 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 122.225 0.21 . . . . 0.0 110.534 176.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 tt -50.39 -52.02 41.05 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 124.052 0.941 . . . . 0.0 109.715 175.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 39.8 mt -59.75 -52.32 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 122.59 0.356 . . . . 0.0 110.506 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -61.13 -28.55 69.18 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -76.34 -62.47 1.61 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.577 0.626 . . . . 0.0 111.173 170.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -66.54 -56.92 8.56 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.583 0.353 . . . . 0.0 110.802 -170.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 89.4 mt . . . . . 0 C--N 1.33 -0.253 0 C-N-CA 123.024 0.53 . . . . 0.0 110.272 -171.844 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 CA--C 1.531 0.212 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.45 -48.92 56.32 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.044 0.537 . . . . 0.0 111.425 173.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -64.06 -41.7 97.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 42.7 mm -57.64 -46.18 86.5 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 CA-C-O 118.656 -0.687 . . . . 0.0 110.794 177.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.9 m -70.03 -34.3 59.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 119.827 1.194 . . . . 0.0 112.078 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -58.64 -52.8 64.12 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.839 0.745 . . . . 0.0 109.71 171.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tt -55.72 -44.79 77.82 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.016 0.927 . . . . 0.0 111.059 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 39.7 ttp -56.08 -51.31 68.31 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.341 1.056 . . . . 0.0 109.021 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -54.39 -50.55 67.27 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -60.2 -26.7 66.58 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.22 -60.99 1.98 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.755 0.707 . . . . 0.0 110.445 169.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -67.29 -31.4 71.69 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -170.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 12.1 ptt85 . . . . . 0 C--N 1.339 0.133 0 CA-C-N 118.947 0.794 . . . . 0.0 111.724 -169.289 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 104.309 -2.478 . . . . 0.0 104.309 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 9.5 t -94.15 107.47 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -78.76 148.83 32.83 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -46.36 -57.25 4.79 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.872 1.269 . . . . 0.0 114.058 -169.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -61.9 -37.02 83.02 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 119.247 -0.981 . . . . 0.0 110.561 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -64.93 -41.39 95.57 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.18 0.592 . . . . 0.0 110.061 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -52.48 -55.52 21.42 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.004 0.365 . . . . 0.0 110.445 170.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 20.8 mm -56.26 -51.34 64.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 120.979 0.418 . . . . 0.0 110.038 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 75.2 m -52.67 -50.41 63.31 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 124.264 1.026 . . . . 0.0 110.202 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -62.03 -43.53 98.64 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 119.144 -0.455 . . . . 0.0 110.777 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 74.2 mt -56.14 -37.06 68.98 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.29 0.95 . . . . 0.0 110.128 173.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.18 -48.87 76.63 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 169.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.83 -48.96 76.83 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.259 1.03 . . . . 0.0 110.855 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.2 tp -53.84 -49.34 68.66 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.178 1.391 . . . . 0.0 109.506 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.14 -43.32 92.0 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.755 0.822 . . . . 0.0 111.305 176.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 22.5 ttt -64.62 -41.46 96.18 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.097 0.559 . . . . 0.0 110.638 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 72.2 mt -59.6 -42.29 87.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 173.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -73.26 56.43 0.47 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.113 0.565 . . . . 0.0 111.207 170.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -47.65 -38.12 14.19 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.399 1.48 . . . . 0.0 111.57 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -48.21 -46.26 34.93 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.136 0.974 . . . . 0.0 111.359 174.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.75 -41.29 98.05 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 117.994 0.361 . . . . 0.0 110.61 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 9.5 mt -65.14 -49.33 70.31 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.015 0.526 . . . . 0.0 110.257 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -47.81 75.07 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.8 0.44 . . . . 0.0 110.955 175.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.228 0 CA-C-O 117.03 -1.984 . . . . 0.0 111.448 -179.073 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 CA--C 1.536 0.406 0 CA-C-O 117.392 -1.289 . . . . 0.0 114.235 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.53 -53.98 5.95 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 123.317 2.678 . . . . 0.0 112.611 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.5 tp -66.1 -46.55 77.22 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 121.314 -0.866 . . . . 0.0 109.817 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -52.39 -50.46 62.43 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 122.535 0.334 . . . . 0.0 110.814 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -61.66 -39.05 89.98 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.194 0.452 . . . . 0.0 110.863 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.49 -55.22 22.12 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.807 -0.558 . . . . 0.0 111.799 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.8 pt -57.32 -42.42 80.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 118.899 0.772 . . . . 0.0 108.945 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.73 -43.74 16.44 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 125.682 1.61 . . . . 0.0 112.739 170.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.5 -60.5 3.7 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.464 1.132 . . . . 0.0 109.657 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -52.08 -48.67 64.57 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.872 0.869 . . . . 0.0 110.152 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.4 -51.81 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -177.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.12 -51.25 58.56 Favored Glycine 0 CA--C 1.522 0.507 0 C-N-CA 124.698 1.142 . . . . 0.0 110.308 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mt -52.13 -57.6 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -55.57 -52.53 63.42 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 120.933 0.397 . . . . 0.0 111.142 -174.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -74.66 -25.66 59.34 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 118.698 -0.668 . . . . 0.0 112.082 -172.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -60.06 -57.56 12.31 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 169.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -63.11 -39.59 95.14 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.882 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 m -62.27 -55.36 29.08 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 174.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.779 0 C-N-CA 125.491 1.52 . . . . 0.0 112.201 178.812 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 m170 . . . . . 0 CA--C 1.538 0.508 0 CA-C-O 120.748 0.309 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.0 p -152.3 126.45 9.19 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.6 1.16 . . . . 0.0 110.181 -169.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.3 mt -97.41 135.28 39.52 Favored 'General case' 0 C--O 1.227 -0.12 0 O-C-N 123.862 0.726 . . . . 0.0 110.352 174.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.7 m -78.09 151.81 33.2 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 168.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -54.23 -47.04 72.64 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -168.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -69.1 -31.28 69.88 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.345 -0.847 . . . . 0.0 111.158 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.63 -43.8 92.54 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 173.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -55.29 -48.18 74.44 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.685 0.394 . . . . 0.0 110.158 171.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -55.53 -42.99 75.34 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 120.354 -1.466 . . . . 0.0 111.196 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.56 -46.23 89.51 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 122.585 0.354 . . . . 0.0 110.228 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tt -51.43 -54.29 28.36 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 123.867 0.867 . . . . 0.0 109.497 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.2 mt -62.14 -55.41 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.646 -175.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -53.32 -42.24 66.49 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 118.75 -0.643 . . . . 0.0 111.368 -176.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -74.89 -58.95 2.97 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.136 -0.625 . . . . 0.0 110.881 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -68.58 -46.69 68.73 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 122.041 -0.412 . . . . 0.0 111.829 -167.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 CA--C 1.538 0.502 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 C--O 1.224 -0.263 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.81 -48.27 59.74 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.248 0.547 . . . . 0.0 111.362 174.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -65.08 -42.47 94.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 42.1 mm -56.68 -47.89 81.67 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.583 176.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.6 m -68.15 -36.04 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 120.054 1.297 . . . . 0.0 112.061 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -57.56 -51.2 70.45 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.683 1.129 . . . . 0.0 109.934 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 tt -57.49 -44.59 85.08 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.28 0.632 . . . . 0.0 111.32 177.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -38.74 92.29 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.533 -0.729 . . . . 0.0 109.814 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.61 -46.57 89.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 172.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -56.54 -48.92 76.25 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.354 0.524 . . . . 0.0 111.102 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mt -52.19 -62.45 1.63 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.439 0.695 . . . . 0.0 109.553 172.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -68.33 -19.92 64.69 Favored 'General case' 0 C--O 1.225 -0.187 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -171.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -52.93 -32.26 44.61 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.182 0.901 . . . . 0.0 110.506 172.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.97 -23.15 55.32 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 119.307 -0.377 . . . . 0.0 112.007 178.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -165.43 91.93 0.53 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.117 1.367 . . . . 0.0 108.242 -177.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -62.18 -36.11 80.9 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -168.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -64.28 -57.73 8.58 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.472 0.654 . . . . 0.0 111.123 -169.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -160.87 132.99 5.93 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.5 m -77.77 117.67 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -168.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -78.97 149.53 32.24 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.298 -175.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -41.17 -51.11 3.51 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.758 1.223 . . . . 0.0 113.843 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -58.71 -47.35 84.86 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.452 -0.78 . . . . 0.0 109.984 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -66.38 -37.98 86.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.66 0.384 . . . . 0.0 110.145 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -54.22 -54.37 40.82 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.95 0.5 . . . . 0.0 110.625 170.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.9 mm -58.23 -48.47 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 118.914 0.779 . . . . 0.0 110.267 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.0 m -50.69 -51.78 46.25 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.259 0.624 . . . . 0.0 110.004 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.22 -43.48 98.8 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 122.991 0.516 . . . . 0.0 110.793 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.06 -33.05 68.62 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.134 0.879 . . . . 0.0 110.813 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.43 -50.08 67.84 Favored Glycine 0 CA--C 1.532 1.12 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 168.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.84 66.62 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 122.274 -0.545 . . . . 0.0 110.479 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.0 tp -53.45 -46.52 69.92 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.043 1.337 . . . . 0.0 110.356 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.3 -52.53 64.96 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.213 0.605 . . . . 0.0 110.667 177.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . 0.289 3.6 ppp? -67.12 -25.9 66.42 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 119.511 -0.876 . . . . 0.0 112.427 177.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 mp -59.09 -43.18 88.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 168.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -74.72 51.52 0.48 Allowed 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.605 -0.685 . . . . 0.0 110.668 169.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -44.79 -42.91 8.21 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 126.397 1.879 . . . . 0.0 112.639 -173.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -53.37 -37.17 62.15 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.27 0.628 . . . . 0.0 111.815 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.14 -35.49 77.24 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.001 0.52 . . . . 0.0 111.396 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -177.262 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.541 0.604 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -64.12 -32.01 64.17 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 CA-C-N 121.293 1.498 . . . . 0.0 113.839 -170.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.1 tp -81.76 -47.44 12.89 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.925 0.784 . . . . 0.0 109.397 169.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -50.16 -42.27 50.62 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 123.867 0.867 . . . . 0.0 111.846 -174.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -53.92 -44.16 70.35 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.361 0.528 . . . . 0.0 111.568 175.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.85 -53.18 19.27 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.737 -0.602 . . . . 0.0 110.71 -173.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 40.2 pt -57.29 -40.51 74.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 173.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.84 -42.03 28.75 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 125.821 1.676 . . . . 0.0 111.968 171.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -59.52 5.28 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.141 0.971 . . . . 0.0 109.932 176.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -50.72 -47.13 59.29 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.34 0.656 . . . . 0.0 110.326 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.1 mt -61.02 -53.1 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.858 0.863 . . . . 0.0 109.588 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.4 -51.25 48.8 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 124.932 1.253 . . . . 0.0 110.702 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 mt -52.88 -60.95 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 175.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -50.14 -54.9 17.54 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 121.05 0.453 . . . . 0.0 111.333 -174.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -72.62 -25.93 61.49 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.154 0.582 . . . . 0.0 112.399 -174.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -64.07 -50.0 70.09 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.459 1.027 . . . . 0.0 108.71 169.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -64.97 -42.34 94.65 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.878 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 51.6 p -63.46 -44.74 93.61 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 119.621 1.1 . . . . 0.0 108.784 172.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.558 0 C-N-CA 126.415 1.96 . . . . 0.0 112.423 170.263 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 69.0 p -134.33 158.41 43.88 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.317 1.447 . . . . 0.0 109.269 176.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 52.9 mt -123.75 141.59 51.88 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 169.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 18.3 t -76.28 146.93 38.59 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 169.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.33 -36.06 63.37 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -172.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -77.4 -30.62 53.67 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.046 -1.034 . . . . 0.0 111.029 176.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.7 -42.5 97.95 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.266 -0.896 . . . . 0.0 108.672 171.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -54.54 -49.46 70.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 170.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -51.81 -46.2 64.17 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.837 1.199 . . . . 0.0 111.062 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.1 -50.17 71.8 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 tt -49.02 -54.48 15.55 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 124.385 1.074 . . . . 0.0 110.542 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -59.76 -58.57 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -56.87 -35.82 69.36 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.469 0.577 . . . . 0.0 110.955 -174.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -79.86 -44.99 19.47 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -76.07 -68.67 0.56 Allowed 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 176.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -177.836 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 C--O 1.226 -0.182 0 CA-C-O 119.246 -0.407 . . . . 0.0 111.411 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.86 -50.18 64.3 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.51 0.671 . . . . 0.0 111.08 170.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -63.93 -42.06 97.46 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 33.9 mm -56.55 -45.2 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.853 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.279 13.7 m -67.17 -37.09 78.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 120.242 1.383 . . . . 0.0 112.369 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -58.54 -51.48 69.71 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.144 0.884 . . . . 0.0 110.221 172.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 tt -56.76 -43.88 81.21 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.631 -0.668 . . . . 0.0 111.181 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -59.95 -44.46 94.4 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 124.355 1.062 . . . . 0.0 110.078 177.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -57.39 -48.98 77.64 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 173.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -58.84 -44.14 90.88 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 122.097 -0.377 . . . . 0.0 111.544 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mt -58.89 -57.09 14.58 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.423 0.63 . . . . 0.0 110.016 171.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.25 -16.51 64.08 Favored 'General case' 0 N--CA 1.458 -0.048 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 -172.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 . . . . . 0 C--N 1.342 0.264 0 C-N-CA 125.864 1.665 . . . . 0.0 110.404 168.813 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 4.8 t -93.75 148.58 4.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 127.708 2.403 . . . . 0.0 106.426 168.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.38 152.68 25.96 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 119.382 0.992 . . . . 0.0 110.02 170.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -42.15 -54.98 3.43 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.099 1.36 . . . . 0.0 113.625 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -58.95 -46.89 86.91 Favored 'General case' 0 N--CA 1.457 -0.079 0 O-C-N 121.637 -0.664 . . . . 0.0 109.951 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -63.45 -42.29 98.65 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -52.74 -54.95 26.57 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.082 0.553 . . . . 0.0 111.077 173.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 33.1 mm -58.53 -51.57 70.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 119.27 0.941 . . . . 0.0 110.373 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 37.4 m -53.15 -48.07 68.24 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.63 0.728 . . . . 0.0 110.001 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -62.7 -43.57 98.46 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 123.88 0.872 . . . . 0.0 110.409 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 71.2 mt -56.86 -33.5 66.89 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.363 0.983 . . . . 0.0 110.449 173.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.47 -50.71 64.14 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 169.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.55 75.57 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.612 -0.934 . . . . 0.0 111.136 173.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 tp -61.9 -43.25 99.24 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.884 0.874 . . . . 0.0 110.2 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.48 -44.7 76.74 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.247 0.619 . . . . 0.0 110.415 171.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 63.0 mtm -64.4 -38.26 90.41 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 175.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.99 -42.21 92.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -74.71 53.61 0.58 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.636 0.774 . . . . 0.0 109.313 169.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -51.34 -39.33 56.78 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 125.332 1.453 . . . . 0.0 113.555 -167.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -44.37 -45.51 8.92 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.109 0.964 . . . . 0.0 111.125 174.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.26 -33.46 67.62 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.463 0.705 . . . . 0.0 111.966 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 45.6 mt -62.59 -40.86 98.25 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.19 0.45 . . . . 0.0 109.926 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -76.87 -46.57 24.13 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 116.978 -2.012 . . . . 0.0 109.576 177.139 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 117.746 -1.121 . . . . 0.0 113.445 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -53.7 -45.92 37.51 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 122.657 2.238 . . . . 0.0 112.625 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.9 tp -73.53 -46.31 48.46 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 120.071 -0.652 . . . . 0.0 109.247 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -51.87 -48.47 64.03 Favored 'General case' 0 CA--C 1.527 0.067 0 C-N-CA 123.204 0.602 . . . . 0.0 110.666 -176.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -61.74 -38.52 88.27 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 117.929 0.331 . . . . 0.0 111.087 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.97 -53.9 27.12 Favored 'General case' 0 N--CA 1.455 -0.195 0 O-C-N 121.736 -0.603 . . . . 0.0 111.194 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.8 pt -57.38 -44.68 84.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 174.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.13 -42.05 16.04 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 125.604 1.573 . . . . 0.0 112.35 172.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -60.39 3.85 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.963 0.905 . . . . 0.0 109.932 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -51.79 -47.0 64.42 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.243 0.617 . . . . 0.0 110.184 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.6 mt -60.29 -53.32 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.394 0.678 . . . . 0.0 109.716 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.81 -50.35 61.47 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 125.068 1.318 . . . . 0.0 110.224 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.1 mt -50.96 -61.71 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -50.66 -53.63 29.51 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 121.255 0.55 . . . . 0.0 111.452 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -75.21 -24.52 57.76 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.972 -0.537 . . . . 0.0 111.834 -171.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -63.06 -53.73 49.21 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.243 0.928 . . . . 0.0 109.073 169.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -63.1 -39.6 95.19 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 122.205 -0.309 . . . . 0.0 111.332 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -59.68 -48.45 81.64 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 172.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.613 0 C-N-CA 125.839 1.685 . . . . 0.0 112.206 174.421 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.5 m170 . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.7 p -148.32 118.49 7.27 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 125.516 1.526 . . . . 0.0 109.393 -174.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.8 mt -90.03 143.49 26.73 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 169.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.3 p -78.63 157.34 28.71 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 168.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -51.35 -47.04 62.88 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.259 0.552 . . . . 0.0 111.738 -176.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -73.51 -34.15 65.12 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.545 -0.722 . . . . 0.0 110.884 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.52 -44.81 95.45 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 121.741 -0.599 . . . . 0.0 109.809 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -54.09 -48.96 70.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 170.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -55.19 -44.86 75.69 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 120.911 -1.118 . . . . 0.0 110.636 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.99 -51.55 65.86 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.388 0.675 . . . . 0.0 110.431 175.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -44.33 -53.27 6.91 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 124.685 1.194 . . . . 0.0 110.197 171.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 54.8 mt -65.76 -44.46 93.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 O-C-N 121.685 -0.635 . . . . 0.0 111.787 -177.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -59.82 -43.81 94.34 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.607 -0.683 . . . . 0.0 110.606 178.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -80.11 -38.48 31.5 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.981 -0.449 . . . . 0.0 111.915 -173.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -80.14 -61.21 2.05 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 122.791 0.436 . . . . 0.0 110.62 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 N--CA 1.463 0.181 0 O-C-N 121.589 -0.694 . . . . 0.0 110.294 -169.748 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 CA--C 1.532 0.25 0 N-CA-C 110.801 -0.074 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.53 -47.56 57.5 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.557 0.743 . . . . 0.0 111.285 173.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -64.22 -42.23 96.67 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.9 mm -56.63 -48.81 80.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.422 175.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.256 14.6 m -69.42 -31.99 51.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 119.846 1.203 . . . . 0.0 112.369 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -58.81 -53.11 62.07 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.205 0.911 . . . . 0.0 109.748 169.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.93 -44.18 74.04 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.222 1.009 . . . . 0.0 111.038 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.1 ttp -57.77 -49.84 75.25 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.443 1.097 . . . . 0.0 108.616 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -56.38 -48.04 77.69 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -56.03 -47.33 78.04 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.886 0.474 . . . . 0.0 111.523 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.33 -62.58 1.67 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.014 0.526 . . . . 0.0 110.017 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.1 -19.78 65.69 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -171.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -34.97 -53.44 0.57 Allowed 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 126.468 1.907 . . . . 0.0 110.949 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.92 -38.24 0.93 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.932 1.293 . . . . 0.0 113.504 -178.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -147.16 59.13 1.17 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 13.61 82.93 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.653 2.381 . . . . 0.0 114.33 171.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 104.51 -15.43 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 128.703 2.801 . . . . 0.0 113.288 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -117.07 137.96 51.93 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.983 0.913 . . . . 0.0 109.619 172.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.8 p -107.86 112.65 41.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 123.218 0.607 . . . . 0.0 109.47 168.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -79.48 150.95 31.06 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.185 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -45.74 -50.73 13.54 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.498 1.119 . . . . 0.0 113.794 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -60.67 -41.06 94.3 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.371 -0.831 . . . . 0.0 110.586 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -74.99 -34.1 61.93 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.927 0.491 . . . . 0.0 110.872 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -55.68 -53.97 49.99 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 169.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.7 mm -56.06 -52.43 50.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.0 m -49.94 -51.59 39.97 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.607 0.363 . . . . 0.0 111.106 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.96 -42.97 99.72 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.717 0.407 . . . . 0.0 110.871 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.4 mt -57.07 -36.58 70.71 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.193 0.906 . . . . 0.0 110.102 173.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.66 -50.18 64.99 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 168.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.28 -44.25 79.6 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.21 1.005 . . . . 0.0 111.395 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 tp -58.59 -47.87 82.85 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.331 1.053 . . . . 0.0 109.517 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.14 -42.45 90.72 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.436 0.694 . . . . 0.0 111.223 175.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -61.09 -46.26 91.34 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.036 0.535 . . . . 0.0 110.265 176.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.32 -42.95 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -72.13 55.56 0.31 Allowed 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.944 -0.473 . . . . 0.0 110.721 170.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.28 -34.93 66.93 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.049 -1.032 . . . . 0.0 111.336 -170.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -48.43 -44.53 35.33 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.197 0.999 . . . . 0.0 110.918 173.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.65 81.35 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.108 0.563 . . . . 0.0 111.025 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.0 mt . . . . . 0 C--N 1.339 0.139 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.359 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.91 -35.62 98.29 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.129 2.553 . . . . 0.0 112.224 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.5 tp -78.79 -46.41 18.86 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.917 0.78 . . . . 0.0 109.308 175.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -49.61 -49.91 44.97 Favored 'General case' 0 C--N 1.339 0.14 0 C-N-CA 123.139 0.576 . . . . 0.0 110.761 -177.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -59.15 -39.23 81.81 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 111.399 0.148 . . . . 0.0 111.399 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.14 -53.07 27.84 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.901 -0.499 . . . . 0.0 110.766 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 36.7 pt -57.59 -43.93 84.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 176.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.07 -47.37 15.11 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 125.492 1.52 . . . . 0.0 112.462 170.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -60.69 3.17 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.85 0.86 . . . . 0.0 110.225 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -51.85 -46.46 64.4 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 123.476 0.71 . . . . 0.0 110.109 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 62.8 mt -59.48 -51.76 68.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 122.607 0.363 . . . . 0.0 110.381 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.55 -54.63 34.76 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.0 mt -49.09 -42.44 14.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 123.166 0.586 . . . . 0.0 110.656 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -66.13 -66.33 0.56 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.659 0.742 . . . . 0.0 111.433 176.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -66.25 -24.22 66.55 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -166.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -52.48 -46.56 66.6 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.886 0.766 . . . . 0.0 109.794 169.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -80.51 -40.34 26.23 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 118.708 -0.663 . . . . 0.0 110.191 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.9 m -50.17 -41.74 49.79 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.989 0.813 . . . . 0.0 110.879 169.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.183 0 C-N-CA 124.226 0.917 . . . . 0.0 113.582 173.363 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.7 m170 . . . . . 0 CA--C 1.535 0.403 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 40.9 p -128.85 164.37 23.23 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.634 1.574 . . . . 0.0 108.923 -177.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 tt -149.85 119.94 7.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.2 p -77.91 167.38 21.59 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.634 0.652 . . . . 0.0 112.184 -169.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -58.07 -56.2 25.11 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -168.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -80.21 -24.52 40.17 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 121.251 -0.906 . . . . 0.0 110.827 -178.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -60.06 -44.23 94.85 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.458 0.703 . . . . 0.0 109.343 170.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -56.61 -50.18 72.74 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 171.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -53.87 -45.0 70.89 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.453 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -56.74 -48.83 76.93 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.049 0.54 . . . . 0.0 110.994 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 tt -49.14 -53.62 20.05 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 123.189 0.596 . . . . 0.0 109.492 174.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.7 mt -60.68 -53.78 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 O-C-N 121.741 -0.599 . . . . 0.0 110.327 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -49.62 -47.32 49.79 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 119.004 -0.522 . . . . 0.0 110.709 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -79.76 -50.69 10.2 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.5 -177.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -75.25 -42.99 53.9 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.235 0.47 . . . . 0.0 111.811 -169.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.533 0.315 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 174.073 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.1 t70 . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.28 -47.75 65.7 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.271 0.557 . . . . 0.0 110.942 174.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -63.18 -43.65 97.64 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 23.3 mm -56.32 -45.79 81.49 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.371 176.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.273 12.5 m -69.65 -35.18 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-N 120.505 1.502 . . . . 0.0 112.732 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -58.92 -51.84 68.33 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.601 1.092 . . . . 0.0 110.017 171.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.64 -45.13 73.71 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.442 1.097 . . . . 0.0 110.936 176.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -61.63 -44.74 96.41 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.786 0.835 . . . . 0.0 109.266 177.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -54.64 -50.38 68.28 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 175.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -56.82 -52.87 63.39 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.824 -0.548 . . . . 0.0 110.84 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.39 -58.85 5.4 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.621 0.769 . . . . 0.0 111.137 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.48 -30.87 64.92 Favored 'General case' 0 N--CA 1.457 -0.081 0 O-C-N 121.82 -0.55 . . . . 0.0 111.697 -172.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 121.081 0.467 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 t -109.77 126.82 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 N-CA-C 105.412 -2.07 . . . . 0.0 105.412 169.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -83.79 159.29 21.46 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.196 0.907 . . . . 0.0 108.93 168.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -51.27 -49.88 60.34 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -176.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -58.99 -46.82 87.21 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.49 -0.756 . . . . 0.0 110.176 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -59.33 -45.79 90.36 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 123.657 0.783 . . . . 0.0 109.909 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -53.96 -52.96 59.0 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.236 0.614 . . . . 0.0 110.492 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.5 mm -57.83 -52.9 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 118.102 0.41 . . . . 0.0 110.215 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 78.3 m -49.9 -49.99 47.64 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.777 0.431 . . . . 0.0 110.947 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -59.17 -44.53 92.16 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.986 0.514 . . . . 0.0 110.669 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 75.3 mt -59.46 -35.44 74.07 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.093 0.86 . . . . 0.0 110.977 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.8 -47.68 87.07 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 169.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.9 -46.01 78.49 Favored 'General case' 0 C--O 1.222 -0.345 0 O-C-N 121.952 -0.734 . . . . 0.0 110.288 174.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 7.5 tp -60.39 -42.8 96.65 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.179 0.991 . . . . 0.0 110.819 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.81 -48.63 69.67 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.83 -0.544 . . . . 0.0 109.982 171.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 31.0 ttp -65.16 -35.39 80.95 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 5.5 mm -58.74 -50.24 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 C-N-CA 123.79 0.836 . . . . 0.0 108.946 173.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -56.68 -43.09 80.1 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 177.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.5 t30 70.49 -61.54 0.46 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.192 1.797 . . . . 0.0 113.146 168.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -49.32 -44.49 44.37 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.387 1.075 . . . . 0.0 109.709 176.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.14 -43.06 6.78 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.736 1.214 . . . . 0.0 112.31 173.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.36 -34.96 79.55 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.613 0.365 . . . . 0.0 110.917 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -73.25 -44.61 59.1 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.238 0 CA-C-O 117.091 -1.949 . . . . 0.0 110.222 174.893 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 CA--C 1.536 0.436 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.06 -44.85 42.98 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.72 2.28 . . . . 0.0 112.499 -178.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.2 tp -74.67 -45.93 41.35 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -50.71 -48.79 58.67 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.512 0.725 . . . . 0.0 110.703 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -62.3 -38.92 91.24 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.295 0.498 . . . . 0.0 111.433 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.38 -53.47 35.61 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.569 -0.707 . . . . 0.0 111.327 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.0 pt -58.18 -42.17 82.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 175.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.2 -44.38 9.88 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 125.481 1.515 . . . . 0.0 112.219 169.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -61.46 2.57 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.017 0.908 . . . . 0.0 110.188 177.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -51.59 -46.92 63.68 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.666 0.786 . . . . 0.0 110.317 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.14 -51.15 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.119 0.968 . . . . 0.0 109.683 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.57 -55.47 29.67 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mt -49.12 -51.99 11.72 Favored 'Isoleucine or valine' 0 C--N 1.34 0.164 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -59.52 -67.07 0.41 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.346 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -27.58 68.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -168.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -56.86 -50.65 71.82 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 170.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -64.2 -44.88 90.6 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-O 118.827 -0.606 . . . . 0.0 110.665 175.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.8 m -48.81 -44.16 38.95 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 118.672 0.669 . . . . 0.0 111.185 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.198 0 C-N-CA 124.803 1.192 . . . . 0.0 113.941 176.222 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 120.702 0.287 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.9 p -144.38 156.54 44.27 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.074 1.349 . . . . 0.0 109.912 -172.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.0 mt -132.33 135.74 46.39 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 167.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -75.82 149.48 37.88 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 119.832 1.196 . . . . 0.0 108.952 172.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -50.64 -47.76 58.4 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.542 0.687 . . . . 0.0 112.847 -169.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 tmpt? -71.04 -29.41 65.31 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.387 -0.821 . . . . 0.0 111.235 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -66.47 -41.94 88.26 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.262 -0.899 . . . . 0.0 109.127 175.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.05 -49.35 76.11 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 169.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -52.95 -44.33 67.01 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 119.42 -0.912 . . . . 0.0 110.464 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.41 -49.39 74.67 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.59 0.632 . . . . 0.0 111.101 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 tt -50.26 -52.07 39.37 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 124.082 0.953 . . . . 0.0 109.712 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.8 mt -63.72 -47.44 91.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.278 0 CA-C-O 118.912 -0.566 . . . . 0.0 111.031 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -53.63 -43.76 68.98 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 119.134 0.879 . . . . 0.0 110.373 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -68.61 -51.04 46.7 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.98 0.355 . . . . 0.0 111.889 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -74.46 -63.2 1.29 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 122.166 0.984 . . . . 0.0 109.076 -174.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.6 mt . . . . . 0 C--N 1.326 -0.417 0 C-N-CA 124.625 1.17 . . . . 0.0 108.091 -173.523 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.3 t70 . . . . . 0 C--O 1.223 -0.332 0 CA-C-O 119.057 -0.496 . . . . 0.0 111.912 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.68 -50.36 55.11 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.498 0.59 . . . . 0.0 111.529 172.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -60.97 -46.86 89.04 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 33.9 mm -56.57 -41.74 74.12 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.041 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.2 m -75.04 -31.89 25.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 120.343 1.429 . . . . 0.0 112.555 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.29 -51.84 68.24 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.476 1.035 . . . . 0.0 109.235 169.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -54.76 -45.4 74.19 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.659 0.784 . . . . 0.0 110.911 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.5 ttp -57.25 -47.4 81.48 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 124.31 1.044 . . . . 0.0 109.135 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -56.72 -49.05 76.34 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.074 0.397 . . . . 0.0 109.991 175.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -60.06 -34.16 73.04 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.6 mt -71.83 -59.23 2.85 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.414 0.685 . . . . 0.0 110.382 172.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.19 -15.55 63.77 Favored 'General case' 0 C--O 1.227 -0.08 0 C-N-CA 124.557 1.143 . . . . 0.0 113.038 -172.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.2 ttp85 -34.16 -39.48 0.08 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.122 1.769 . . . . 0.0 111.059 168.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -30.44 -57.5 0.2 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.777 1.231 . . . . 0.0 113.985 168.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.2 ptpp? -152.71 32.97 0.49 Allowed 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 173.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.306 1.6 p30 61.63 -56.98 0.11 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 128.514 2.726 . . . . 0.0 114.679 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.1 -42.09 73.15 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 123.75 0.82 . . . . 0.0 109.551 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -127.69 155.36 44.08 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.154 0.982 . . . . 0.0 112.912 -173.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 t -92.72 151.93 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 C-N-CA 129.11 2.964 . . . . 0.0 104.911 166.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -112.56 148.91 33.53 Favored 'General case' 0 CA--C 1.523 -0.078 0 C-N-CA 123.458 0.703 . . . . 0.0 109.163 169.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -42.93 -58.38 2.43 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.89 1.276 . . . . 0.0 114.108 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 tm0? -59.88 -42.72 94.39 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 121.539 -0.726 . . . . 0.0 109.267 -174.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -68.83 -35.02 76.45 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.856 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -56.64 -51.5 68.46 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.273 0.629 . . . . 0.0 110.12 170.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.2 mm -57.83 -51.15 73.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 118.55 0.614 . . . . 0.0 109.985 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.8 m -50.15 -50.09 50.02 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.502 0.668 . . . . 0.0 110.699 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -62.95 -43.97 97.34 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 123.058 0.543 . . . . 0.0 110.621 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.1 mt -56.71 -36.27 69.49 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.136 0.88 . . . . 0.0 110.157 172.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.54 -51.12 59.73 Favored Glycine 0 CA--C 1.526 0.749 0 O-C-N 121.839 -0.538 . . . . 0.0 111.812 169.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.56 -45.09 77.32 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.919 -0.753 . . . . 0.0 111.082 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 tp -56.47 -48.79 76.38 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.704 1.202 . . . . 0.0 110.043 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.57 -44.84 85.61 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.701 0.8 . . . . 0.0 110.626 176.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 23.3 ttt -64.53 -40.29 95.34 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 122.201 -0.312 . . . . 0.0 111.38 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.7 mt -60.8 -41.85 90.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 123.82 0.848 . . . . 0.0 109.214 174.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -72.36 55.71 0.34 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.145 0.578 . . . . 0.0 110.082 169.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -55.97 -34.74 66.01 Favored 'General case' 0 N--CA 1.456 -0.133 0 O-C-N 121.406 -0.809 . . . . 0.0 112.106 -169.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -47.41 -45.32 25.31 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.928 0.891 . . . . 0.0 111.385 172.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.97 97.2 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 123.011 0.524 . . . . 0.0 110.729 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--O 1.226 -0.175 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.508 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.45 -0.447 0 CA-C-O 117.632 -1.175 . . . . 0.0 113.915 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -52.83 -54.53 4.95 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 123.446 2.764 . . . . 0.0 112.364 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 51.9 tp -66.08 -45.75 80.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.062 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -53.22 -50.73 64.12 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 122.381 0.272 . . . . 0.0 110.821 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -62.27 -38.92 91.14 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 122.171 -0.331 . . . . 0.0 110.77 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.69 -54.39 36.36 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.923 -0.486 . . . . 0.0 111.71 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 30.3 pt -57.93 -42.12 81.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 118.78 0.718 . . . . 0.0 109.095 176.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.92 -45.56 19.28 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 125.147 1.356 . . . . 0.0 112.522 169.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.55 -58.66 7.35 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.234 1.017 . . . . 0.0 109.708 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -52.68 -46.6 67.33 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.504 0.722 . . . . 0.0 110.109 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 62.2 mt -60.83 -51.1 77.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 122.806 0.443 . . . . 0.0 110.131 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.46 -55.61 27.72 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -49.57 -43.57 18.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 C-N-CA 123.2 0.6 . . . . 0.0 110.286 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -64.47 -62.8 1.37 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.851 0.75 . . . . 0.0 111.22 176.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -64.9 -26.42 68.31 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.861 1.059 . . . . 0.0 113.861 -168.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -51.76 -45.6 63.78 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.379 0.536 . . . . 0.0 110.23 169.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -81.14 -43.83 18.8 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 118.943 -0.551 . . . . 0.0 110.849 -177.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.7 p -57.17 -33.22 67.23 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 119.408 -0.917 . . . . 0.0 110.816 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 C-N-CA 124.989 1.281 . . . . 0.0 111.594 168.833 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 . . . . . 0 CA--C 1.535 0.383 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 41.5 p -141.29 156.52 45.85 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.329 1.452 . . . . 0.0 109.396 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 90.5 mt -130.44 134.42 47.09 Favored 'General case' 0 C--O 1.225 -0.208 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 167.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.5 p -76.16 151.9 36.82 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.701 1.137 . . . . 0.0 108.07 173.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -54.72 -41.96 70.96 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -167.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -78.26 -26.79 47.36 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.177 -0.952 . . . . 0.0 111.406 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -65.18 -38.3 90.1 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.21 -0.931 . . . . 0.0 109.419 170.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -57.22 -48.61 78.37 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 170.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -53.51 -46.84 70.21 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.773 1.17 . . . . 0.0 111.261 174.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -50.81 -51.02 54.95 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.535 0.734 . . . . 0.0 110.253 176.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tt -52.9 -53.49 48.42 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 124.056 0.942 . . . . 0.0 109.715 175.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 56.6 mt -59.91 -55.37 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 O-C-N 122.211 -0.306 . . . . 0.0 110.356 -176.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -56.47 -38.41 71.66 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 119.049 -0.5 . . . . 0.0 111.275 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -80.07 -54.54 5.69 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.516 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -81.23 -47.33 13.53 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.586 0.754 . . . . 0.0 111.55 -169.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 N--CA 1.455 -0.193 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 177.39 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.4 t70 . . . . . 0 CA--C 1.531 0.222 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.64 -47.68 70.07 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.335 0.588 . . . . 0.0 111.43 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.45 -43.28 94.73 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 28.4 mm -55.46 -44.5 76.21 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 118.299 -0.857 . . . . 0.0 111.218 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.251 7.9 m -67.12 -39.25 82.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 120.352 1.433 . . . . 0.0 112.119 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -59.12 -49.58 77.32 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.516 -0.74 . . . . 0.0 110.212 173.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tt -56.99 -44.57 82.86 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.985 0.914 . . . . 0.0 111.036 176.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -58.69 -43.77 90.08 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.364 1.066 . . . . 0.0 109.928 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -59.06 -49.83 76.41 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.253 0.479 . . . . 0.0 109.846 173.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -59.08 -33.66 71.07 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.46 -58.14 4.03 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.383 0.673 . . . . 0.0 109.873 172.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -64.81 -22.03 66.9 Favored 'General case' 0 C--O 1.228 -0.044 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -172.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 . . . . . 0 C--N 1.341 0.212 0 C-N-CA 127.015 2.126 . . . . 0.0 111.179 169.002 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.1 152.04 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 127.732 2.413 . . . . 0.0 107.241 169.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -113.09 150.62 31.83 Favored 'General case' 0 CA--C 1.523 -0.066 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 169.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -43.38 -55.22 4.23 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -63.94 -41.86 97.49 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.325 -0.859 . . . . 0.0 109.824 -174.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -64.22 -38.32 90.64 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 122.316 -0.24 . . . . 0.0 111.179 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -55.06 -52.84 61.95 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.253 0.621 . . . . 0.0 109.83 172.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 15.7 mm -60.47 -48.62 87.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-N 118.686 0.676 . . . . 0.0 110.474 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 34.7 m -48.82 -51.93 26.82 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.957 0.903 . . . . 0.0 110.053 177.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -61.41 -47.15 87.11 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 123.529 0.732 . . . . 0.0 110.485 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 74.4 mt -54.78 -34.0 62.09 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 119.039 0.836 . . . . 0.0 110.852 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.17 -51.01 58.57 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 169.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.94 -49.12 79.03 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.039 -0.683 . . . . 0.0 110.789 176.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 tp -51.02 -50.42 58.56 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.58 1.152 . . . . 0.0 110.147 177.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.36 85.27 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.708 0.803 . . . . 0.0 110.66 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 26.0 ttp -62.82 -37.97 88.89 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 122.102 -0.374 . . . . 0.0 111.251 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.22 -40.84 90.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.677 1.191 . . . . 0.0 109.777 174.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 15.6 m-30 -72.88 53.6 0.35 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.873 0.76 . . . . 0.0 109.671 169.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -59.79 -28.84 67.77 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -167.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -46.18 -41.77 13.14 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.627 0.771 . . . . 0.0 110.603 171.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.61 -35.95 79.35 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.628 0.371 . . . . 0.0 111.579 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 16.8 mt -73.1 -51.86 16.44 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 175.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -54.61 -46.16 73.8 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 122.335 -0.228 . . . . 0.0 111.58 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.225 0 CA-C-O 117.498 -1.724 . . . . 0.0 111.219 -174.797 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -59.25 -39.3 79.39 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.779 2.319 . . . . 0.0 112.811 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.9 tp -80.27 -45.41 17.97 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -50.07 -47.05 53.8 Favored 'General case' 0 C--O 1.226 -0.143 0 C-N-CA 123.779 0.832 . . . . 0.0 110.646 -177.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -61.9 -37.77 85.87 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.779 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.17 -52.93 23.05 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.739 -0.601 . . . . 0.0 110.67 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.7 pt -58.47 -41.46 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 119.74 -0.784 . . . . 0.0 109.101 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.48 -46.35 17.23 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.415 1.483 . . . . 0.0 112.044 170.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -59.58 4.8 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.205 1.002 . . . . 0.0 110.044 177.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -51.42 -49.27 61.97 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 123.293 0.637 . . . . 0.0 110.245 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.29 -47.36 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 123.365 0.666 . . . . 0.0 109.624 -176.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.05 -54.13 40.59 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 124.949 1.262 . . . . 0.0 110.318 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 mt -50.44 -56.62 3.67 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -51.37 -58.36 6.44 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.05 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -67.09 -30.56 70.63 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 118.88 -0.581 . . . . 0.0 112.435 -172.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -56.71 -46.86 81.0 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.693 0.679 . . . . 0.0 109.84 170.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -66.96 -45.51 77.52 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 118.317 -0.849 . . . . 0.0 111.379 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.5 m -49.31 -46.84 47.12 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 119.651 1.114 . . . . 0.0 111.056 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.283 0 C-N-CA 124.13 0.872 . . . . 0.0 114.053 177.094 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 . . . . . 0 CA--C 1.532 0.278 0 CA-C-O 122.011 0.91 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.8 m -156.23 155.81 33.02 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.261 1.424 . . . . 0.0 109.189 -169.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.2 mt -129.61 157.75 41.21 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 125.47 1.508 . . . . 0.0 107.355 167.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 m -97.14 176.62 5.87 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.282 0.633 . . . . 0.0 110.124 169.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.09 -65.8 0.59 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.032 1.333 . . . . 0.0 112.059 -171.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -36.81 83.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.392 -177.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -58.46 -45.74 87.99 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.8 0.44 . . . . 0.0 111.142 176.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -57.19 -49.35 76.25 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -57.98 -38.13 75.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 118.9 -1.12 . . . . 0.0 111.028 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -59.52 -49.69 76.82 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.993 0.917 . . . . 0.0 110.279 175.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 tt -46.31 -54.44 8.95 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.661 0.784 . . . . 0.0 109.922 170.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.9 mt -62.12 -50.32 80.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 O-C-N 121.735 -0.603 . . . . 0.0 111.73 -177.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -61.2 -37.25 82.32 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.558 -0.713 . . . . 0.0 111.113 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -79.72 -46.8 16.39 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.774 0.715 . . . . 0.0 111.466 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -80.78 -48.72 12.08 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.091 0.556 . . . . 0.0 112.051 -174.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.4 mt . . . . . 0 N--CA 1.462 0.125 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -178.459 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 119.58 -0.247 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.93 -46.77 74.97 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 122.681 0.392 . . . . 0.0 111.254 173.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.99 -45.44 92.41 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.9 mm -56.62 -42.97 77.69 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.244 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.774 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.6 m -65.81 -37.01 78.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 120.481 1.491 . . . . 0.0 111.97 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -62.81 -50.99 68.8 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.25 0.932 . . . . 0.0 110.019 173.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.08 -43.46 66.76 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.227 1.011 . . . . 0.0 111.004 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -63.77 -47.56 80.44 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.572 1.149 . . . . 0.0 109.392 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -51.73 -53.04 43.81 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -54.18 -53.15 57.31 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.904 0.481 . . . . 0.0 110.54 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mt -49.44 -55.86 11.7 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.058 0.943 . . . . 0.0 110.989 177.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.17 -32.9 61.39 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.781 -0.575 . . . . 0.0 112.113 -173.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.0 ttm-85 -59.13 -34.54 72.17 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 123.113 0.565 . . . . 0.0 111.403 -169.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -49.48 -37.66 27.11 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 174.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -119.69 51.6 1.16 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.203 1.001 . . . . 0.0 109.07 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.273 4.0 p30 59.3 -58.98 0.05 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 129.307 3.043 . . . . 0.0 116.419 169.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -133.98 -21.68 1.87 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.414 1.486 . . . . 0.0 112.042 -172.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -120.12 152.62 37.35 Favored 'General case' 0 C--O 1.225 -0.191 0 C-N-CA 123.845 0.858 . . . . 0.0 109.17 -172.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.0 t -96.11 106.41 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -78.39 152.91 32.01 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.745 -0.597 . . . . 0.0 109.581 176.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -46.69 -55.23 8.1 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -64.48 -39.39 93.71 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.432 -0.793 . . . . 0.0 109.682 -174.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -57.47 -48.84 78.11 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.999 0.519 . . . . 0.0 110.166 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -51.68 -52.56 47.19 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.948 0.499 . . . . 0.0 110.643 176.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.5 mm -57.23 -52.87 51.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 118.306 0.503 . . . . 0.0 110.207 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.6 m -50.04 -52.04 37.44 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.629 0.772 . . . . 0.0 110.469 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -62.68 -43.4 98.89 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 123.525 0.73 . . . . 0.0 110.805 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.7 mt -55.82 -33.09 64.13 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.196 0.907 . . . . 0.0 110.227 173.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.81 -49.36 78.65 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 121.889 -0.507 . . . . 0.0 111.978 169.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.51 -47.34 82.22 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 117.782 0.791 . . . . 0.0 110.96 175.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.0 tp -55.05 -47.76 74.36 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.79 1.236 . . . . 0.0 109.717 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.85 -45.88 89.05 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.473 0.709 . . . . 0.0 110.96 176.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 57.5 ttm -60.06 -43.59 95.32 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 118.385 0.539 . . . . 0.0 110.568 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 83.1 mt -56.19 -43.26 75.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -72.21 51.62 0.24 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.661 0.784 . . . . 0.0 111.844 169.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -45.98 -32.56 2.82 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 127.635 2.374 . . . . 0.0 112.366 172.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.2 mp0 -58.96 -42.26 89.49 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.515 0.726 . . . . 0.0 110.102 176.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.11 -41.92 85.39 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.538 0.735 . . . . 0.0 110.501 177.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--N 1.341 0.202 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 174.817 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.0 -40.87 82.29 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.87 2.38 . . . . 0.0 113.113 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 53.1 tp -79.73 -44.54 20.57 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -50.48 -47.27 57.15 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 123.668 0.787 . . . . 0.0 110.659 -177.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -60.99 -38.91 87.67 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.228 0.467 . . . . 0.0 111.522 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.56 -53.95 19.74 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.744 -0.598 . . . . 0.0 110.843 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 46.4 pt -58.3 -41.35 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 119.781 -0.767 . . . . 0.0 109.156 175.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.67 -44.42 17.06 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 125.95 1.738 . . . . 0.0 112.249 170.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -60.19 4.01 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 118.188 0.994 . . . . 0.0 109.909 178.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -53.38 -46.29 69.59 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 123.649 0.78 . . . . 0.0 110.632 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 54.4 mt -60.84 -51.54 72.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 123.895 0.878 . . . . 0.0 109.536 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.62 -57.85 16.77 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mt -46.54 -50.42 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 123.49 0.716 . . . . 0.0 109.939 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -64.82 -66.59 0.52 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.317 0.58 . . . . 0.0 111.857 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -69.82 -25.57 63.83 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -167.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -45.34 91.97 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 170.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -63.13 -52.52 62.21 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 118.4 -0.81 . . . . 0.0 110.999 173.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -46.07 -47.81 17.1 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.792 0.724 . . . . 0.0 110.918 177.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.142 0 C-N-CA 125.885 1.707 . . . . 0.0 114.383 176.39 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 . . . . . 0 CA--C 1.54 0.56 0 CA-C-O 121.046 0.451 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 13.1 p -147.24 148.99 32.04 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 126.375 1.87 . . . . 0.0 110.019 -169.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 97.2 mt -129.09 151.04 50.21 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 166.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 27.2 p -89.23 160.39 16.96 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 169.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -62.54 -44.21 96.92 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.011 -1.055 . . . . 0.0 112.919 -169.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -74.71 -32.9 62.28 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 120.712 -1.242 . . . . 0.0 110.615 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -58.33 -40.63 82.61 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.438 -0.789 . . . . 0.0 110.149 170.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -57.16 -44.76 83.77 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.735 -0.603 . . . . 0.0 109.863 171.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -56.49 -46.99 80.21 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 120.414 -1.429 . . . . 0.0 110.879 172.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -54.69 -38.28 66.83 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.464 0.706 . . . . 0.0 111.22 177.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 tt -60.24 -57.87 10.93 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 123.788 0.835 . . . . 0.0 109.783 170.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 44.2 mt -56.08 -50.73 68.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 O-C-N 122.118 -0.364 . . . . 0.0 111.557 -174.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -59.23 -31.52 69.13 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.183 0.447 . . . . 0.0 111.814 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -80.95 -58.13 3.23 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.075 0.464 . . . . 0.0 111.223 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -80.54 -42.93 21.52 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.096 0.959 . . . . 0.0 112.476 -168.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.1 mt . . . . . 0 N--CA 1.462 0.132 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -179.79 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--O 1.225 -0.234 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.46 -49.25 55.7 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.277 0.56 . . . . 0.0 111.289 173.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.87 -42.31 97.56 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 33.4 mm -56.97 -45.41 83.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 118.456 -0.783 . . . . 0.0 110.927 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.6 m -71.69 -31.83 43.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 120.196 1.362 . . . . 0.0 112.457 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -60.23 -51.82 67.92 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.641 1.11 . . . . 0.0 109.558 169.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 tt -55.49 -44.19 76.3 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.419 0.688 . . . . 0.0 110.889 176.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 39.4 ttp -56.26 -50.56 70.97 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.109 0.964 . . . . 0.0 109.439 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -55.08 -47.75 74.47 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.935 0.494 . . . . 0.0 110.21 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -58.43 -45.31 88.73 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 122.157 -0.339 . . . . 0.0 111.08 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.38 -56.72 18.01 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.39 0.676 . . . . 0.0 110.765 174.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -70.9 -15.87 62.64 Favored 'General case' 0 C--N 1.334 -0.081 0 C-N-CA 124.029 0.931 . . . . 0.0 113.085 -171.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.342 0.255 0 C-N-CA 125.286 1.434 . . . . 0.0 110.277 168.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 CA--C 1.533 0.304 0 CA-C-O 121.449 0.642 . . . . 0.0 112.609 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 21.2 t -110.97 111.32 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 127.66 2.384 . . . . 0.0 105.697 169.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -82.61 148.07 28.2 Favored 'General case' 0 C--O 1.232 0.171 0 O-C-N 121.558 -0.714 . . . . 0.0 109.182 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -45.47 -52.54 10.08 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.252 1.021 . . . . 0.0 112.974 -176.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -50.34 -51.67 43.62 Favored 'General case' 0 N--CA 1.457 -0.109 0 O-C-N 122.339 -0.226 . . . . 0.0 110.55 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -72.98 -27.95 62.11 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 119.195 -0.431 . . . . 0.0 111.833 -175.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.66 -49.77 75.39 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 167.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 19.6 mm -60.53 -51.79 68.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 O-C-N 122.009 -0.432 . . . . 0.0 110.629 177.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 10.5 m -48.59 -50.42 32.52 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.684 0.794 . . . . 0.0 110.264 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -60.69 -45.7 93.18 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 118.879 -0.582 . . . . 0.0 110.359 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 75.5 mt -57.35 -35.91 70.52 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.627 1.103 . . . . 0.0 110.918 174.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.99 -49.81 68.78 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 169.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.14 87.32 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 122.041 -0.682 . . . . 0.0 111.63 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 tp -58.06 -49.11 78.03 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.813 1.245 . . . . 0.0 109.081 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.96 -53.63 53.16 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.048 0.539 . . . . 0.0 109.776 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 48.5 ttp -54.32 -44.01 71.68 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.679 0.392 . . . . 0.0 111.353 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.59 -43.56 96.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 124.26 1.024 . . . . 0.0 109.898 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -54.36 -43.32 71.23 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.1 t30 69.22 -61.05 0.44 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 126.304 1.842 . . . . 0.0 113.917 167.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -51.32 -38.4 52.78 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.242 1.017 . . . . 0.0 109.691 175.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.12 -44.12 52.07 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.902 0.881 . . . . 0.0 112.064 172.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.24 -43.38 57.26 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.479 0.712 . . . . 0.0 109.785 -177.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -57.74 -43.02 85.09 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 175.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.251 0 CA-C-O 117.386 -1.786 . . . . 0.0 111.221 -178.944 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.444 0 CA-C-O 117.746 -1.121 . . . . 0.0 111.381 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -40.0 -51.75 3.01 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 124.092 3.194 . . . . 0.0 114.557 170.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.0 tp -64.61 -48.69 73.97 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 121.119 -0.988 . . . . 0.0 110.353 177.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -53.95 -47.33 71.4 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.896 0.478 . . . . 0.0 110.369 -177.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -63.63 -40.69 97.54 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.071 0.396 . . . . 0.0 111.068 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.54 -56.1 25.48 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.915 0.779 . . . . 0.0 111.738 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.3 pt -57.08 -42.79 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.61 -42.65 14.52 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 125.569 1.557 . . . . 0.0 112.907 170.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.85 -60.15 4.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.179 0.989 . . . . 0.0 109.248 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -51.36 -49.07 62.2 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.742 0.817 . . . . 0.0 110.029 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.4 mt -58.96 -50.93 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.982 -177.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.38 -53.8 42.87 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.1 mt -48.72 -51.64 11.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 123.079 0.552 . . . . 0.0 109.694 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -59.62 -53.1 61.94 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.262 0.553 . . . . 0.0 111.818 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -75.12 -22.8 57.96 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -169.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -58.09 -56.83 16.98 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.286 0.948 . . . . 0.0 108.802 169.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -64.18 -38.93 92.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.598 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.2 m -58.95 -53.59 56.69 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 173.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.715 0 C-N-CA 125.403 1.478 . . . . 0.0 112.502 178.937 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.9 m170 . . . . . 0 CA--C 1.537 0.473 0 CA-C-O 120.833 0.349 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.3 t -159.07 121.71 3.6 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.537 1.135 . . . . 0.0 109.097 -174.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.6 mt -91.53 146.85 23.46 Favored 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 123.782 0.833 . . . . 0.0 108.857 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.9 t -79.82 146.7 32.11 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 166.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -53.75 -39.73 65.57 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -169.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -34.72 69.3 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.374 -0.829 . . . . 0.0 111.06 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -62.73 -45.7 91.5 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 174.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -53.48 -45.53 69.64 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.892 169.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -55.74 -44.6 77.71 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 119.963 -1.711 . . . . 0.0 111.347 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -61.99 -33.73 74.86 Favored 'General case' 0 CA--C 1.535 0.365 0 O-C-N 121.998 -0.439 . . . . 0.0 111.324 176.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.55 -59.21 5.76 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.431 0.693 . . . . 0.0 110.193 169.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.8 mt -53.07 -48.26 53.37 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 CA-C-N 118.473 0.579 . . . . 0.0 110.268 -174.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -53.5 -38.51 63.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 119.504 -0.284 . . . . 0.0 111.561 -175.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -75.91 -59.92 2.54 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -43.84 -52.84 6.47 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.914 2.086 . . . . 0.0 112.033 -175.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.4 mt . . . . . 0 CA--C 1.533 0.289 0 C-N-CA 124.018 0.927 . . . . 0.0 111.807 -178.333 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 . . . . . 0 CA--C 1.528 0.134 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.1 -46.63 68.78 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.493 0.717 . . . . 0.0 111.131 175.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -66.28 -43.44 86.36 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.8 mm -53.47 -50.93 46.26 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 CA-C-O 118.737 -0.649 . . . . 0.0 109.581 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.266 18.5 m -68.49 -32.61 56.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 119.244 0.929 . . . . 0.0 112.79 -176.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -61.2 -50.32 73.61 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.612 1.096 . . . . 0.0 109.853 169.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tt -58.58 -38.19 77.39 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.398 0.679 . . . . 0.0 111.357 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.7 ttp -60.34 -52.73 64.02 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 125.269 1.428 . . . . 0.0 109.157 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -50.64 -52.64 37.7 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -53.73 -52.16 61.02 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.652 0.381 . . . . 0.0 111.676 176.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mt -51.68 -56.27 14.68 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.61 0.764 . . . . 0.0 110.629 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -73.75 -25.62 60.26 Favored 'General case' 0 C--O 1.228 -0.054 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -172.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.7 ttm-85 -47.4 -44.02 24.03 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 123.691 0.797 . . . . 0.0 110.381 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -50.75 -29.34 11.19 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.699 1.2 . . . . 0.0 113.185 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -136.56 50.14 2.05 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 169.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 p30 57.05 -25.3 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 128.886 2.875 . . . . 0.0 118.692 168.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -170.23 -37.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 120.256 1.389 . . . . 0.0 110.967 -169.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -95.1 163.87 13.11 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 169.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.2 t -113.93 97.26 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 126.299 1.839 . . . . 0.0 106.586 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -78.7 144.09 35.62 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.67 0.272 . . . . 0.0 110.442 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -47.37 -54.39 11.34 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -169.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -54.54 -41.15 69.42 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.469 -0.769 . . . . 0.0 110.401 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -71.5 -36.74 71.21 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.914 0.886 . . . . 0.0 109.855 -176.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -54.5 -53.1 58.83 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.096 0.407 . . . . 0.0 109.918 169.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.7 mm -58.63 -48.88 84.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 O-C-N 122.248 -0.282 . . . . 0.0 110.282 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.9 m -50.68 -51.57 48.1 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.363 0.665 . . . . 0.0 110.338 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -59.62 -44.31 93.51 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.39 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.8 mt -57.91 -34.37 69.75 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.936 0.789 . . . . 0.0 111.314 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.26 -50.68 62.68 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 169.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.78 -42.77 80.03 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 122.163 -0.61 . . . . 0.0 110.862 174.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.59 -43.84 96.91 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.761 0.824 . . . . 0.0 110.19 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.36 -47.5 83.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.35 0.66 . . . . 0.0 110.453 173.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -41.41 75.25 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.742 -0.599 . . . . 0.0 110.534 175.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.93 -39.63 82.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 124.629 1.171 . . . . 0.0 111.561 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -51.6 -48.64 63.16 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 169.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 71.82 -59.19 0.56 Allowed 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 125.941 1.696 . . . . 0.0 113.785 167.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -50.35 -41.6 51.8 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.303 1.041 . . . . 0.0 110.364 176.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.75 -42.03 45.4 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.73 1.212 . . . . 0.0 112.092 174.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--O 1.225 -0.229 0 C-N-CA 123.621 0.768 . . . . 0.0 109.966 178.053 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.535 0.387 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -60.22 -40.95 55.13 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.259 1.973 . . . . 0.0 112.879 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 tp -80.32 -46.0 16.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.482 176.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -49.18 -45.91 44.78 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.687 0.795 . . . . 0.0 110.656 -175.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -60.15 -40.21 89.08 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.565 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.31 -55.13 13.17 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.873 -0.517 . . . . 0.0 110.747 -177.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 pt -58.49 -41.5 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.537 176.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.84 -44.96 25.03 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 125.165 1.364 . . . . 0.0 111.892 170.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.08 -60.16 4.01 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 117.846 0.823 . . . . 0.0 110.405 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -52.45 -46.16 66.36 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.615 0.766 . . . . 0.0 110.221 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 59.4 mt -60.13 -51.88 67.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.183 0.593 . . . . 0.0 110.076 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.94 -54.03 39.92 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 mt -49.53 -52.35 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -59.92 -63.5 1.28 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.351 0.596 . . . . 0.0 111.782 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -67.94 -20.89 65.11 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 119.113 -0.47 . . . . 0.0 112.175 -168.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -58.32 -52.6 64.91 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.797 0.726 . . . . 0.0 109.21 168.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -68.28 -33.76 74.94 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 118.911 -0.566 . . . . 0.0 111.24 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m -56.12 -61.55 2.31 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.27 168.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.794 0 C-N-CA 125.421 1.486 . . . . 0.0 112.481 -178.589 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 . . . . . 0 CA--C 1.536 0.441 0 CA-C-O 122.383 1.087 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.0 p -153.77 150.19 28.23 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 127.568 2.347 . . . . 0.0 106.672 -169.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -149.88 150.21 31.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 118.25 0.477 . . . . 0.0 110.444 168.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 87.1 p -78.37 160.98 27.5 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.124 0.488 . . . . 0.0 110.932 -169.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -59.17 -44.95 92.15 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -172.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -70.8 -33.33 70.62 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 120.938 -1.101 . . . . 0.0 110.357 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -62.28 -38.47 89.49 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.648 0.658 . . . . 0.0 109.915 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -57.97 -50.98 71.53 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 170.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -54.78 -42.41 71.71 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 119.24 -0.984 . . . . 0.0 110.678 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -57.97 -48.86 78.71 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.156 0.583 . . . . 0.0 110.645 175.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -50.16 -51.83 40.4 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 123.645 0.778 . . . . 0.0 109.428 174.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.9 mt -62.9 -59.38 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.101 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -56.03 -36.27 67.79 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 119.038 -0.506 . . . . 0.0 112.112 -175.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.36 -53.84 6.26 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 118.649 0.659 . . . . 0.0 110.603 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -79.15 -53.07 7.35 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 122.025 -0.422 . . . . 0.0 110.159 -171.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mp . . . . . 0 CA--C 1.53 0.182 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 177.794 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 . . . . . 0 C--O 1.226 -0.171 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.03 -47.5 65.0 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.714 0.806 . . . . 0.0 111.207 175.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -66.45 -41.85 88.47 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 35.0 mm -57.37 -46.05 85.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 118.473 -0.775 . . . . 0.0 110.671 175.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.276 14.1 m -68.24 -36.43 75.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 120.21 1.368 . . . . 0.0 112.259 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -56.87 -52.78 63.78 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.139 0.881 . . . . 0.0 110.05 171.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 tt -54.49 -44.86 73.02 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.412 1.085 . . . . 0.0 111.197 176.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -61.89 -41.72 98.22 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.88 0.872 . . . . 0.0 109.711 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -59.57 -48.9 79.87 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 173.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -54.27 -50.42 67.28 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.392 0.277 . . . . 0.0 111.187 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mt -56.26 -58.02 9.75 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 122.982 0.513 . . . . 0.0 110.179 174.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -64.69 -24.8 67.69 Favored 'General case' 0 N--CA 1.461 0.12 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -172.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 . . . . . 0 CA--C 1.53 0.181 0 C-N-CA 124.122 0.969 . . . . 0.0 110.767 176.847 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 . . . . . 0 N--CA 1.457 -0.104 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 5.6 t -111.31 129.93 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 127.053 2.141 . . . . 0.0 106.576 174.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -90.18 148.54 22.89 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 169.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -40.97 -53.86 2.87 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.668 1.187 . . . . 0.0 114.122 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -63.33 -40.48 97.45 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 121.352 -0.843 . . . . 0.0 110.172 -172.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -70.14 -39.1 75.58 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -50.75 -51.23 52.19 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.569 0.622 . . . . 0.0 110.597 170.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 23.7 mm -58.22 -51.89 65.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 118.519 0.599 . . . . 0.0 110.307 176.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 44.3 m -48.16 -51.37 25.3 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.803 0.811 . . . . 0.0 110.428 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -63.11 -43.7 97.71 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 123.633 0.773 . . . . 0.0 110.361 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.0 mt -57.55 -34.81 69.55 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.945 1.248 . . . . 0.0 110.73 173.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.68 -50.5 64.87 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 169.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.09 -46.05 79.2 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 122.173 -0.604 . . . . 0.0 111.113 174.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.56 -48.34 74.91 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 125.265 1.426 . . . . 0.0 109.609 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.91 -53.84 50.28 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.244 0.618 . . . . 0.0 109.856 174.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 14.6 ttt -60.77 -34.12 73.99 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 122.057 -0.402 . . . . 0.0 112.022 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 62.5 mt -72.33 -42.74 65.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 125.492 1.517 . . . . 0.0 110.354 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -52.65 -47.8 66.85 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 170.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 71.46 -59.34 0.55 Allowed 'General case' 0 C--O 1.227 -0.086 0 C-N-CA 125.915 1.686 . . . . 0.0 113.79 167.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -48.67 -46.94 40.91 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.241 1.017 . . . . 0.0 109.597 176.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.23 -41.17 1.26 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.997 1.719 . . . . 0.0 113.145 173.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.87 -30.72 62.79 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.53 0.732 . . . . 0.0 110.693 -176.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -77.65 -44.57 27.71 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 174.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 116.85 -2.083 . . . . 0.0 111.186 177.412 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.447 -0.585 0 CA-C-O 117.858 -1.068 . . . . 0.0 113.742 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.07 -46.93 22.51 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 121.447 1.431 . . . . 0.0 112.897 -178.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.7 tp -80.49 -44.71 18.72 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 118.513 0.597 . . . . 0.0 109.491 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.68 -43.66 62.8 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.849 0.859 . . . . 0.0 110.961 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -38.35 86.41 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.137 0.881 . . . . 0.0 110.872 178.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.94 -52.86 12.95 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 117.745 0.248 . . . . 0.0 110.342 -173.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.7 pt -57.61 -43.26 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 173.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.27 -44.05 20.01 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 125.092 1.329 . . . . 0.0 112.462 170.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -60.89 3.11 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.094 0.958 . . . . 0.0 109.83 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -51.14 -46.81 62.08 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.415 0.686 . . . . 0.0 110.034 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.54 -54.32 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 C-N-CA 123.603 0.761 . . . . 0.0 110.118 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.53 -49.85 66.76 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.291 -1.124 . . . . 0.0 110.291 -178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 mt -51.96 -53.2 18.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 175.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -58.06 -63.61 1.2 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.455 0.645 . . . . 0.0 111.196 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.61 -24.32 65.46 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -167.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -42.97 82.22 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 118.561 -1.256 . . . . 0.0 110.039 171.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -70.09 -39.25 75.66 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.491 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.9 p -60.99 -56.75 17.46 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 118.584 -1.246 . . . . 0.0 108.141 169.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.767 0 C-N-CA 126.945 2.212 . . . . 0.0 113.431 172.033 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 . . . . . 0 CA--C 1.543 0.686 0 N-CA-C 111.329 0.122 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.7 p -151.27 132.5 14.49 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 125.06 1.344 . . . . 0.0 109.897 -170.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 mp -108.59 143.88 37.04 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 167.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.1 p -77.31 155.03 32.29 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -54.15 -40.01 67.04 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -171.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -79.94 -29.65 39.75 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.297 -0.877 . . . . 0.0 111.529 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -61.72 -41.93 98.27 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.181 -0.949 . . . . 0.0 108.95 170.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -55.04 -50.44 69.07 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.733 0.413 . . . . 0.0 110.015 171.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -51.02 -48.62 61.4 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.259 -0.9 . . . . 0.0 111.026 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -54.76 -47.24 74.13 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 122.369 0.267 . . . . 0.0 111.283 177.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 tt -52.24 -53.35 44.78 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 123.725 0.81 . . . . 0.0 109.848 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.9 mt -62.7 -49.83 82.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -177.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -38.9 69.8 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.512 -176.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -74.54 -59.48 2.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.917 0.781 . . . . 0.0 110.489 172.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -60.45 -54.92 39.8 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 123.042 0.537 . . . . 0.0 112.426 -169.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.4 mt . . . . . 0 CA--C 1.531 0.217 0 CA-C-N 118.092 0.405 . . . . 0.0 110.968 -177.69 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 . . . . . 0 C--O 1.225 -0.22 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.97 -45.16 74.94 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.204 0.602 . . . . 0.0 111.283 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.05 -47.8 78.76 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 176.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 mm -54.21 -43.76 62.0 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.622 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.284 9.2 m -68.01 -37.82 78.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 120.471 1.487 . . . . 0.0 112.563 -178.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.74 -51.54 69.34 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.053 0.842 . . . . 0.0 109.854 172.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -55.97 -42.99 77.11 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.108 0.963 . . . . 0.0 111.333 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -61.65 -43.28 99.15 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.306 1.443 . . . . 0.0 109.474 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.01 -48.65 80.81 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.361 0.528 . . . . 0.0 109.59 174.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -54.83 -50.52 68.42 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 122.208 -0.308 . . . . 0.0 111.323 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -57.37 -57.19 13.74 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.407 0.683 . . . . 0.0 110.777 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -67.42 -22.2 65.53 Favored 'General case' 0 N--CA 1.457 -0.083 0 CA-C-O 118.221 -0.895 . . . . 0.0 112.862 -172.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -38.99 -37.84 0.4 Allowed 'General case' 0 C--N 1.344 0.331 0 C-N-CA 125.371 1.468 . . . . 0.0 110.812 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -23.06 -62.04 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.478 1.911 . . . . 0.0 113.28 165.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -147.17 24.69 1.14 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.653 1.181 . . . . 0.0 111.614 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.313 0.1 OUTLIER 63.91 -53.32 0.24 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 128.411 2.684 . . . . 0.0 115.1 -179.063 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -78.9 -40.35 32.49 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 121.301 -0.875 . . . . 0.0 110.559 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.69 152.3 51.74 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.412 1.085 . . . . 0.0 111.846 -173.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.1 p -103.07 130.23 53.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 125.252 1.421 . . . . 0.0 108.295 169.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.83 152.98 21.43 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.799 0.44 . . . . 0.0 110.117 176.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -42.76 -52.73 4.87 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.375 1.47 . . . . 0.0 113.838 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -60.11 -41.36 92.4 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 121.33 -0.856 . . . . 0.0 111.038 -176.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -72.61 -37.84 67.97 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -53.51 -54.06 42.65 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.613 0.642 . . . . 0.0 110.379 171.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 18.5 mm -56.1 -53.11 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.7 m -52.7 -47.68 67.09 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.143 0.497 . . . . 0.0 111.17 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -63.6 -43.16 97.73 Favored 'General case' 0 N--CA 1.446 -0.64 0 O-C-N 121.304 -0.873 . . . . 0.0 110.662 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.5 mt -57.72 -36.52 72.12 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.432 -0.793 . . . . 0.0 110.155 171.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.51 -42.53 95.99 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 121.949 -0.469 . . . . 0.0 112.168 169.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.67 -48.18 80.43 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 120.984 -1.304 . . . . 0.0 109.947 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.0 tp -53.32 -49.4 67.13 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.704 1.202 . . . . 0.0 109.746 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.57 -47.18 85.12 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.14 0.976 . . . . 0.0 110.994 177.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 55.3 ttp -62.83 -40.32 97.05 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.406 0.282 . . . . 0.0 110.78 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.0 mt -58.0 -48.73 83.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 172.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -71.51 41.78 0.07 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.821 0.849 . . . . 0.0 112.288 171.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -44.93 -32.33 1.58 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 127.132 2.173 . . . . 0.0 112.793 177.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.1 mp0 -47.88 -41.1 23.5 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.989 0.916 . . . . 0.0 110.506 175.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.03 -37.14 83.82 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.371 0.668 . . . . 0.0 111.746 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 35.1 mt . . . . . 0 CA--C 1.53 0.176 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 172.365 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.448 -0.572 0 CA-C-O 117.786 -1.102 . . . . 0.0 113.623 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.35 -55.16 3.33 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 121.979 1.786 . . . . 0.0 111.956 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 42.3 tp -68.63 -44.41 74.26 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.173 -0.955 . . . . 0.0 110.28 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -52.62 -48.34 66.4 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 122.733 0.413 . . . . 0.0 111.089 -175.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -38.98 85.06 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.182 0.446 . . . . 0.0 110.616 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.06 -53.05 22.41 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 122.149 0.18 . . . . 0.0 111.039 -176.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 28.8 pt -57.21 -44.16 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 119.806 -0.758 . . . . 0.0 109.001 175.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.41 -45.38 22.28 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.903 1.24 . . . . 0.0 112.417 171.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.4 -60.22 4.13 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.177 0.991 . . . . 0.0 109.889 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mp -51.48 -47.57 63.13 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 123.256 0.623 . . . . 0.0 110.302 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 64.2 mt -60.44 -54.19 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 124.288 1.035 . . . . 0.0 110.05 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.98 -50.06 63.57 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 124.701 1.143 . . . . 0.0 110.532 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -52.66 -58.04 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -53.21 -58.36 7.33 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.086 0.469 . . . . 0.0 111.229 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -26.42 60.69 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 119.851 -0.74 . . . . 0.0 112.218 -169.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -66.04 -42.14 89.97 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 118.865 -1.134 . . . . 0.0 109.277 173.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -63.09 -51.47 66.47 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.07 175.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 97.1 p -56.99 -44.56 82.86 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 120.046 1.294 . . . . 0.0 109.904 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.116 0 C-N-CA 126.582 2.039 . . . . 0.0 114.688 169.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 53.2 p -140.64 143.26 35.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.077 1.351 . . . . 0.0 108.984 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 71.0 mt -108.1 144.52 35.36 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 169.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.0 p -83.34 177.19 8.61 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.131 0.878 . . . . 0.0 110.557 170.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -64.92 -65.96 0.61 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.815 0.846 . . . . 0.0 111.772 -169.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.44 -29.5 70.56 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.727 -0.608 . . . . 0.0 110.436 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.19 -46.85 85.11 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.226 0.61 . . . . 0.0 111.002 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -55.07 -48.52 73.39 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 169.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -55.89 -41.61 74.74 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.499 -0.751 . . . . 0.0 110.972 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -56.11 -54.85 40.09 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.877 1.271 . . . . 0.0 110.067 173.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 tt -44.96 -55.45 5.49 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 124.276 1.03 . . . . 0.0 110.304 174.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.88 -51.91 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-O 119.336 -0.364 . . . . 0.0 110.428 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -37.61 81.6 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 118.413 0.551 . . . . 0.0 110.821 -174.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -55.12 6.26 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -74.21 -52.51 12.2 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.86 -0.525 . . . . 0.0 110.531 -171.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 22.4 mt . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 177.199 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.377 0.132 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.05 -46.46 53.12 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.522 0.729 . . . . 0.0 111.04 174.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -66.21 -42.25 89.02 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 44.0 mm -56.14 -49.72 74.45 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 CA-C-O 118.986 -0.53 . . . . 0.0 110.161 175.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 19.4 m -69.92 -32.71 52.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 119.492 1.042 . . . . 0.0 112.373 -177.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -60.49 -51.22 70.4 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.165 0.893 . . . . 0.0 109.803 170.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tt -54.49 -45.46 73.24 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.979 0.912 . . . . 0.0 110.889 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 56.6 ttp -57.6 -55.48 34.33 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.765 1.226 . . . . 0.0 109.066 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -48.68 -53.42 18.83 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.718 0.807 . . . . 0.0 109.9 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -55.57 -51.32 67.51 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.831 0.452 . . . . 0.0 110.981 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.8 mt -53.69 -54.17 41.63 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.864 0.466 . . . . 0.0 111.041 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -76.86 -30.91 56.47 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -169.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 . . . . . 0 N--CA 1.462 0.148 0 O-C-N 122.122 -0.361 . . . . 0.0 110.797 -176.276 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 4.1 t -79.51 109.28 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -78.05 144.83 36.27 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 119.009 0.822 . . . . 0.0 109.383 173.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -40.97 -51.89 3.18 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.737 1.215 . . . . 0.0 113.033 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -59.67 -46.07 90.15 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.6 0.714 . . . . 0.0 110.215 -175.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -69.01 -35.84 77.13 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.54 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -54.63 -53.01 60.3 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.804 0.442 . . . . 0.0 110.064 170.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 30.3 mm -57.49 -55.54 20.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 118.733 0.697 . . . . 0.0 110.219 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 53.5 m -48.73 -50.44 33.68 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.981 -0.449 . . . . 0.0 111.3 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -62.31 -42.72 99.61 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 123.066 0.546 . . . . 0.0 110.838 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 79.8 mt -57.59 -36.97 72.44 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.517 1.053 . . . . 0.0 109.854 173.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.57 -50.18 64.71 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 168.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.13 -47.31 75.25 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.663 -0.904 . . . . 0.0 111.01 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.2 tp -56.03 -47.67 77.43 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.781 1.232 . . . . 0.0 109.976 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.02 -49.36 73.91 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.75 0.82 . . . . 0.0 110.647 174.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 14.8 tpt -57.72 -42.98 84.94 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.439 0.696 . . . . 0.0 111.59 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.71 -48.02 90.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 124.26 1.024 . . . . 0.0 109.557 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -54.38 -50.63 67.05 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 69.88 -52.73 0.63 Allowed 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 126.397 1.879 . . . . 0.0 114.791 168.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -49.25 -42.07 39.62 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 124.098 0.959 . . . . 0.0 109.6 169.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.48 -43.2 62.1 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.549 0.74 . . . . 0.0 111.676 172.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 17.4 mt -69.02 -57.05 5.97 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -59.07 -39.92 83.62 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.323 0.249 . . . . 0.0 111.634 -173.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 117.43 -1.761 . . . . 0.0 109.955 177.22 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 117.526 -1.226 . . . . 0.0 111.829 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -39.48 -51.83 2.65 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 124.26 3.307 . . . . 0.0 115.489 171.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -72.03 -48.52 43.93 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 118.79 -1.164 . . . . 0.0 109.85 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -52.36 -46.01 65.96 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.856 0.462 . . . . 0.0 111.101 -176.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -64.89 -37.69 88.49 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 122.05 -0.406 . . . . 0.0 111.115 178.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.16 -54.53 28.29 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.866 -0.521 . . . . 0.0 111.012 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.8 pt -57.02 -43.06 80.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.2 -47.02 10.7 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 125.326 1.441 . . . . 0.0 112.601 170.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.67 -59.86 4.4 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.13 0.965 . . . . 0.0 109.861 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -52.23 -47.15 65.85 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.363 0.665 . . . . 0.0 110.237 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.4 mt -62.75 -51.16 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 122.783 0.433 . . . . 0.0 110.115 -177.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.06 -52.31 50.02 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.9 mt -52.92 -54.18 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -53.15 -63.85 1.01 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.94 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -71.89 -22.14 61.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 118.824 -0.608 . . . . 0.0 112.523 -169.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -59.8 -55.72 30.74 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 169.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -63.07 -36.31 83.17 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 119.06 -0.495 . . . . 0.0 111.442 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.4 m -57.94 -59.12 5.74 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 119.271 0.941 . . . . 0.0 109.944 170.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 C-N-CA 125.687 1.613 . . . . 0.0 111.93 -177.704 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 . . . . . 0 CA--C 1.538 0.489 0 CA-C-O 120.77 0.319 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.6 p -143.63 158.17 43.87 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.37 1.068 . . . . 0.0 109.257 175.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.7 mt -123.25 130.9 53.37 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 124.429 1.092 . . . . 0.0 108.201 169.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.8 t -81.88 170.21 15.92 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.447 0.641 . . . . 0.0 110.611 169.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -58.11 9.28 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.211 1.404 . . . . 0.0 113.207 -169.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.6 -30.24 65.58 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.846 -0.534 . . . . 0.0 110.3 -176.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -63.16 -46.48 86.97 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.752 -0.592 . . . . 0.0 109.499 174.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -55.8 -48.75 74.85 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 172.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HZ2' ' CG1' ' A' ' 54' ' ' VAL . 39.6 ttmt -53.31 -46.8 69.55 Favored 'General case' 0 C--O 1.224 -0.276 0 O-C-N 121.189 -0.944 . . . . 0.0 110.223 175.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.55 -46.09 80.87 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.807 0.731 . . . . 0.0 110.923 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 tt -51.36 -53.35 37.27 Favored 'General case' 0 CA--C 1.522 -0.111 0 C-N-CA 123.61 0.764 . . . . 0.0 109.711 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.2 mt -62.93 -52.31 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.42 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -52.64 -39.14 61.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.517 0.727 . . . . 0.0 111.098 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tpmt? -72.58 -60.47 2.22 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.791 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -68.79 -58.66 3.88 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.664 0.386 . . . . 0.0 110.757 -169.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 C--N 1.33 -0.268 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 177.637 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 CA--C 1.534 0.363 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.21 -45.24 79.96 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.925 0.393 . . . . 0.0 111.44 173.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -63.86 -45.49 89.25 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 174.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 mm -55.13 -42.81 67.27 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.297 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.413 ' CG1' ' HZ2' ' A' ' 35' ' ' LYS . 7.9 m -65.9 -39.7 85.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 120.492 1.496 . . . . 0.0 112.497 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -59.51 -51.83 68.17 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.843 0.747 . . . . 0.0 109.693 173.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 tt -53.67 -43.87 69.2 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.974 0.91 . . . . 0.0 111.299 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -63.11 -42.89 99.64 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.452 1.101 . . . . 0.0 109.419 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.25 -48.09 81.51 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 172.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -59.72 -36.46 76.6 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 122.025 -0.422 . . . . 0.0 111.922 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mt -65.56 -62.43 1.52 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.536 0.734 . . . . 0.0 109.948 170.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -60.75 -24.21 65.54 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 123.812 0.845 . . . . 0.0 113.226 -172.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.4 ttp-105 -27.17 -50.71 0.05 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 127.439 2.295 . . . . 0.0 111.278 168.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -38.0 -53.53 1.36 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.566 1.546 . . . . 0.0 113.65 176.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? -149.41 49.07 0.96 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.274 0.63 . . . . 0.0 109.466 -174.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 p30 46.92 -78.49 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.618 2.367 . . . . 0.0 114.552 171.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -66.22 -31.79 72.82 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 125.567 1.547 . . . . 0.0 111.388 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -141.66 164.99 28.71 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -172.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.8 p -116.73 139.79 42.03 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 125.523 1.529 . . . . 0.0 107.493 168.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -92.86 153.54 18.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.043 0.937 . . . . 0.0 109.956 175.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -39.47 -53.51 2.04 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.885 1.674 . . . . 0.0 113.655 177.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -58.38 -46.57 86.1 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.511 -0.743 . . . . 0.0 110.228 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -72.36 -31.96 66.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.421 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -56.35 -50.61 71.02 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 168.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.9 mm -57.78 -54.45 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-N 118.578 0.626 . . . . 0.0 110.23 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.4 m -49.71 -49.07 49.24 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.578 0.627 . . . . 0.0 111.191 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -61.08 -45.41 94.84 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 122.564 0.346 . . . . 0.0 110.443 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.48 -34.72 71.2 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.77 0.714 . . . . 0.0 110.515 173.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.31 -51.69 57.08 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 169.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.31 -46.36 72.79 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.875 -0.779 . . . . 0.0 110.38 175.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 tp -60.69 -42.48 97.24 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.635 0.774 . . . . 0.0 110.659 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.44 -39.57 83.97 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 121.654 -0.653 . . . . 0.0 110.821 174.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -61.48 -50.33 73.16 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 122.068 -0.395 . . . . 0.0 109.978 170.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.9 mm -52.39 -41.59 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 124.154 0.981 . . . . 0.0 110.987 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.1 m-30 -51.1 -37.05 43.63 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.025 0.375 . . . . 0.0 111.022 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 35.5 t30 68.84 -64.58 0.32 Allowed 'General case' 0 C--N 1.34 0.174 0 C-N-CA 127.259 2.224 . . . . 0.0 112.442 172.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -49.29 -41.21 37.41 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.096 1.358 . . . . 0.0 110.387 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.71 -37.34 65.74 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.905 0.882 . . . . 0.0 112.266 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 C--N 1.339 0.111 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 175.903 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 118.34 -0.838 . . . . 0.0 113.157 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -59.42 -41.04 61.67 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 121.604 1.536 . . . . 0.0 114.47 -171.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 66.0 tp -81.02 -45.45 16.55 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.157 0.435 . . . . 0.0 110.276 171.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -52.46 -41.93 63.74 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 119.301 -0.38 . . . . 0.0 111.501 -175.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -58.11 -40.99 82.59 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.534 0.606 . . . . 0.0 110.888 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.94 -53.2 15.85 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 121.882 -0.511 . . . . 0.0 110.503 -174.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 35.5 pt -57.69 -42.26 81.22 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.109 173.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.58 -43.59 15.6 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 125.42 1.486 . . . . 0.0 112.44 170.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -59.52 5.21 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 118.159 0.979 . . . . 0.0 109.842 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -51.66 -47.14 63.89 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 123.125 0.57 . . . . 0.0 110.394 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 53.8 mt -61.68 -51.97 66.41 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.41 -53.23 39.52 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 9.0 mt -49.94 -60.86 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 175.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -51.43 -51.02 58.41 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.029 0.442 . . . . 0.0 111.65 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -72.44 -28.86 63.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.472 -170.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -62.51 -55.74 24.61 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 169.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -61.86 -44.63 96.43 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -174.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.9 p -67.85 -46.51 71.54 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.3 -0.875 . . . . 0.0 109.722 174.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.829 0 C-N-CA 124.34 0.971 . . . . 0.0 112.229 174.564 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 . . . . . 0 CA--C 1.538 0.497 0 CA-C-O 121.744 0.783 . . . . 0.0 109.906 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 15.9 p -144.52 136.98 26.53 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 126.978 2.111 . . . . 0.0 106.789 -169.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 65.5 mt -99.58 152.0 20.53 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 168.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 87.6 p -88.49 159.9 17.75 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 166.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -48.51 -48.05 38.52 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.297 1.039 . . . . 0.0 113.167 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -78.69 -31.57 46.66 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.698 -0.626 . . . . 0.0 110.909 -177.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -61.07 -42.15 97.96 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.429 -0.794 . . . . 0.0 109.583 171.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -56.85 -50.09 73.5 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 172.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -53.11 -44.92 68.01 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.236 0.926 . . . . 0.0 110.799 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -55.42 -50.69 69.14 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 117.883 0.31 . . . . 0.0 110.297 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tt -49.68 -53.77 22.57 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 124.075 0.95 . . . . 0.0 110.5 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 44.9 mt -61.78 -55.21 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 O-C-N 121.965 -0.459 . . . . 0.0 110.436 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -58.1 -39.9 79.82 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.62 0.646 . . . . 0.0 110.957 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -81.12 -37.57 28.66 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -174.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -81.27 -68.2 0.71 Allowed 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.777 0.798 . . . . 0.0 109.569 172.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.2 mt . . . . . 0 C--N 1.329 -0.318 0 C-N-CA 124.816 1.246 . . . . 0.0 108.774 -173.661 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 CA--C 1.533 0.306 0 CA-C-O 119.385 -0.34 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.69 -48.69 69.26 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.327 0.512 . . . . 0.0 111.47 169.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.32 -45.47 93.07 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 27.7 mm -55.92 -40.29 61.77 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.305 0 CA-C-O 117.972 -1.013 . . . . 0.0 111.31 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.254 8.5 m -68.04 -37.71 78.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 120.735 1.607 . . . . 0.0 112.41 177.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -59.81 -52.29 66.1 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.111 0.869 . . . . 0.0 109.546 173.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.19 -44.03 71.23 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.153 0.581 . . . . 0.0 111.048 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -62.83 -40.89 98.79 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.196 0.998 . . . . 0.0 109.547 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -58.29 -48.73 79.57 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 173.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -62.22 -32.44 73.1 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mt -66.54 -71.32 0.2 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 168.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . 0.268 5.1 p-10 -55.35 -25.62 36.05 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 125.173 1.389 . . . . 0.0 113.983 -169.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 51.7 ttp85 . . . . . 0 CA--C 1.533 0.315 0 C-N-CA 125.197 1.399 . . . . 0.0 111.217 169.035 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 3.6 t -118.27 108.64 24.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 125.172 1.389 . . . . 0.0 108.563 171.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -79.9 143.86 33.9 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.36 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -39.76 -60.4 1.0 Allowed 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -171.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -58.11 -35.66 71.77 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.278 -0.888 . . . . 0.0 111.28 -177.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -76.28 -36.07 58.58 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -55.74 -52.55 63.54 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 168.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 26.8 mm -55.61 -53.24 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 93.2 m -51.37 -48.8 62.39 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.88 0.472 . . . . 0.0 111.136 178.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -62.58 -41.92 99.24 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.988 -0.53 . . . . 0.0 110.51 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 71.2 mt -57.53 -34.23 68.92 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.68 1.127 . . . . 0.0 110.466 173.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.11 -52.08 54.57 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 168.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.35 -39.53 67.19 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.433 -1.039 . . . . 0.0 111.507 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 14.0 tp -65.58 -42.53 91.62 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.999 0.92 . . . . 0.0 110.015 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.38 -45.38 80.57 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.117 0.567 . . . . 0.0 110.169 170.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 33.9 ttp -64.08 -32.74 74.41 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.638 -0.664 . . . . 0.0 112.329 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 65.2 mt -71.25 -41.53 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 124.146 0.978 . . . . 0.0 110.625 174.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 5.6 m-30 -53.28 -46.17 69.19 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 169.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 72.58 -61.01 0.51 Allowed 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 126.511 1.925 . . . . 0.0 113.369 167.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -50.7 -43.3 57.71 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.654 0.782 . . . . 0.0 109.558 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.04 -45.75 16.22 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.939 0.896 . . . . 0.0 111.927 173.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 11.1 mt -66.82 -25.59 66.51 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-O 119.187 -0.435 . . . . 0.0 111.719 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -75.11 -53.84 8.16 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 174.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 117.314 -1.825 . . . . 0.0 110.179 173.193 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 CA--C 1.539 0.545 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -59.61 -43.01 42.07 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 121.852 1.701 . . . . 0.0 112.582 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -80.01 -44.49 20.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -50.22 -46.15 54.4 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.338 0.655 . . . . 0.0 110.591 -176.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -63.12 -34.45 77.64 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.872 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.59 -50.66 23.89 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.66 -0.65 . . . . 0.0 110.868 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.7 pt -59.02 -40.21 80.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 119.769 -0.773 . . . . 0.0 109.273 172.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.52 -45.96 37.4 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 125.017 1.294 . . . . 0.0 112.25 170.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -61.56 2.43 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.242 1.021 . . . . 0.0 109.63 178.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.412 ' CD2' HD11 ' A' ' 77' ' ' LEU . 7.4 mt -48.69 -48.85 39.79 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.417 1.087 . . . . 0.0 111.255 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mm -59.73 -55.45 23.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.399 1.08 . . . . 0.0 109.64 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.53 -47.57 87.31 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 125.111 1.339 . . . . 0.0 110.148 -176.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -55.1 -57.96 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 175.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -54.07 -54.1 44.06 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.001 0.429 . . . . 0.0 110.622 -173.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -69.6 -28.75 66.21 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.695 -0.669 . . . . 0.0 112.135 -173.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -57.09 -55.01 40.2 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.234 0.925 . . . . 0.0 108.703 169.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -63.18 -54.0 44.37 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-O 118.913 -0.565 . . . . 0.0 111.098 -178.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.2 m -49.83 -48.35 50.95 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.737 1.153 . . . . 0.0 111.241 174.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.828 0 C-N-CA 124.691 1.139 . . . . 0.0 111.802 177.683 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 . . . . . 0 CA--C 1.531 0.226 0 CA-C-O 121.213 0.53 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.1 m -146.79 154.52 41.46 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.6 tt -148.28 135.78 20.59 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -167.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.5 t -79.58 164.94 23.44 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.994 0.816 . . . . 0.0 112.613 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -71.98 -51.95 19.44 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -169.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -62.85 -36.5 83.45 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 120.64 -1.288 . . . . 0.0 109.525 177.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -62.51 -43.55 98.53 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 121.971 -0.455 . . . . 0.0 110.943 174.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -52.8 -46.93 67.87 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 171.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -55.5 -45.13 77.08 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 119.194 -1.003 . . . . 0.0 110.491 176.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.27 -49.58 73.81 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.506 0.594 . . . . 0.0 110.775 175.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 tt -48.0 -51.53 23.53 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 124.306 1.042 . . . . 0.0 109.602 174.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.6 mt -60.7 -57.77 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-O 119.405 -0.331 . . . . 0.0 110.218 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -54.73 -37.47 65.95 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.159 0.436 . . . . 0.0 112.003 -175.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -79.98 -56.01 4.55 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 117.968 0.349 . . . . 0.0 110.94 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -80.8 -48.46 12.43 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.654 0.382 . . . . 0.0 110.835 -170.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 176.021 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 C--O 1.227 -0.108 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.86 -46.67 71.35 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.489 0.716 . . . . 0.0 111.141 175.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -65.82 -43.02 89.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.3 mm -56.91 -43.22 80.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 CA-C-O 118.084 -0.96 . . . . 0.0 111.404 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 m -69.28 -33.36 57.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 120.583 1.538 . . . . 0.0 112.374 179.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -59.5 -52.01 67.42 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.156 0.889 . . . . 0.0 109.477 170.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.64 -42.33 74.84 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.894 0.878 . . . . 0.0 111.434 176.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.7 ttp -58.13 -51.66 68.78 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.745 1.218 . . . . 0.0 108.431 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -53.5 -50.05 66.22 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -54.04 -51.88 62.64 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.034 0.379 . . . . 0.0 111.595 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.8 mt -53.8 -58.43 7.27 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.354 0.662 . . . . 0.0 110.862 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -68.59 -30.91 69.76 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 118.908 -0.568 . . . . 0.0 112.381 -172.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -46.94 -45.39 20.7 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 123.636 0.774 . . . . 0.0 110.6 -175.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -30.47 43.78 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.56 0.744 . . . . 0.0 112.668 -176.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -132.85 42.56 3.06 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.011 0.924 . . . . 0.0 109.553 172.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 p30 38.05 -85.94 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 127.559 2.344 . . . . 0.0 115.369 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -69.87 -31.55 69.44 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.193 1.397 . . . . 0.0 111.53 -175.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -130.59 177.93 7.0 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.175 0.99 . . . . 0.0 109.578 -172.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.7 p -124.29 129.43 74.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 166.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -85.29 151.01 24.38 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -45.08 -51.61 9.99 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.561 0.745 . . . . 0.0 112.968 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -58.29 -46.46 86.06 Favored 'General case' 0 CA--C 1.53 0.205 0 O-C-N 121.83 -0.544 . . . . 0.0 110.008 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -67.19 -37.34 83.51 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.241 0.616 . . . . 0.0 110.296 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -54.78 -53.65 52.36 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.496 0.718 . . . . 0.0 110.196 170.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.2 mm -59.63 -48.21 88.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 118.712 0.687 . . . . 0.0 110.397 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.0 m -50.58 -51.72 45.71 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.52 0.676 . . . . 0.0 109.913 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -60.94 -45.47 94.59 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.61 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.412 HD11 ' CD2' ' A' ' 12' ' ' LEU . 74.2 mt -57.34 -37.95 73.35 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.274 0.943 . . . . 0.0 110.658 175.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.73 -52.18 50.16 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 169.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.31 -42.9 78.33 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.253 -0.557 . . . . 0.0 111.449 175.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.3 tp -57.91 -49.38 76.95 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.835 1.254 . . . . 0.0 109.672 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.57 -48.8 76.57 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.202 0.601 . . . . 0.0 110.133 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 41.3 ttp -61.1 -38.57 86.76 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 122.771 0.428 . . . . 0.0 111.686 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.0 mt -68.64 -44.12 82.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 124.972 1.309 . . . . 0.0 109.883 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -52.73 -48.97 66.32 Favored 'General case' 0 C--N 1.34 0.167 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 171.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 71.51 -58.67 0.57 Allowed 'General case' 0 N--CA 1.461 0.091 0 C-N-CA 126.185 1.794 . . . . 0.0 113.651 167.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -45.91 -49.05 16.06 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.553 1.141 . . . . 0.0 109.175 172.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -39.42 -43.88 1.28 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.777 1.631 . . . . 0.0 112.819 173.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 42.1 mt . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.887 0.375 . . . . 0.0 110.385 -179.325 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -63.1 -34.52 69.23 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 CA-C-N 120.896 1.356 . . . . 0.0 113.426 -169.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 44.9 tp -82.26 -46.05 14.2 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.766 0.712 . . . . 0.0 110.751 169.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -50.43 -43.2 54.91 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.05 0.54 . . . . 0.0 111.106 -175.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -56.04 -42.44 76.55 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.186 0.448 . . . . 0.0 111.474 176.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.24 -53.44 16.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.785 -0.572 . . . . 0.0 110.514 -174.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 20.5 pt -58.53 -40.69 79.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 119.774 -0.77 . . . . 0.0 108.984 174.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.82 -43.17 29.99 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 125.389 1.471 . . . . 0.0 112.271 170.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.98 -59.05 6.05 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.456 1.128 . . . . 0.0 109.655 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -51.19 -47.72 62.14 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 123.163 0.585 . . . . 0.0 110.431 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.41 -47.57 92.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.469 0.708 . . . . 0.0 109.941 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.27 -52.79 50.51 Favored Glycine 0 CA--C 1.521 0.427 0 C-N-CA 124.75 1.167 . . . . 0.0 110.232 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.3 mt -51.35 -60.74 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 107.715 -1.216 . . . . 0.0 107.715 174.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -48.14 -59.28 3.52 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.713 -175.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -74.92 -21.98 58.88 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 119.332 -0.366 . . . . 0.0 111.633 -170.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -60.97 -51.48 69.08 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 168.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -61.14 -46.99 88.28 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.83 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.3 p -61.65 -51.28 69.09 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.204 0.911 . . . . 0.0 110.118 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.853 0 C-N-CA 125.609 1.576 . . . . 0.0 112.536 176.727 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 22.6 m170 . . . . . 0 CA--C 1.541 0.607 0 CA-C-O 121.015 0.436 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 14.3 t -155.79 161.62 40.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.949 1.3 . . . . 0.0 108.096 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 62.8 mt -127.51 158.77 36.54 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.768 1.627 . . . . 0.0 108.116 172.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 60.5 p -100.04 172.54 7.14 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.653 1.181 . . . . 0.0 110.247 171.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -58.44 -57.37 13.24 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -169.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -78.93 -24.62 43.9 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.814 -0.554 . . . . 0.0 110.429 -174.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -62.83 -46.83 86.1 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 169.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -59.95 -47.99 83.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 172.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -50.26 -47.72 55.06 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.48 -0.763 . . . . 0.0 109.761 175.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -56.4 -50.56 71.27 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.635 0.774 . . . . 0.0 111.085 176.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tt -46.37 -55.28 7.56 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 123.119 0.567 . . . . 0.0 110.114 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 69.6 mt -58.63 -55.64 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-O 119.037 -0.506 . . . . 0.0 110.414 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -62.01 -34.6 76.5 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 119.411 1.005 . . . . 0.0 112.028 -174.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -79.72 -39.52 30.97 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.648 0.658 . . . . 0.0 111.288 -176.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -80.33 -58.2 3.24 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.334 0.516 . . . . 0.0 110.647 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 CA--C 1.534 0.358 0 C-N-CA 126.863 2.065 . . . . 0.0 108.4 -176.514 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 N--CA 1.463 0.217 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.08 -44.89 67.89 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.491 0.662 . . . . 0.0 110.73 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -68.97 -40.01 79.11 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 36.3 mm -56.99 -49.33 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-O 118.43 -0.795 . . . . 0.0 110.866 174.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.4 m -65.03 -37.76 81.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 120.199 1.363 . . . . 0.0 111.506 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -58.04 -49.73 75.86 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.885 0.766 . . . . 0.0 110.284 171.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tt -57.27 -42.86 82.4 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.496 -0.753 . . . . 0.0 111.187 177.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -59.86 -45.99 90.71 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.168 0.987 . . . . 0.0 109.489 176.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -55.48 -52.02 65.05 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -60.12 -28.49 67.91 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.295 -0.878 . . . . 0.0 112.74 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mt -68.83 -58.83 3.62 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.637 0.775 . . . . 0.0 110.524 171.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 40.2 p30 -71.45 -26.18 62.62 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -172.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 . . . . . 0 N--CA 1.461 0.109 0 C-N-CA 126.937 2.095 . . . . 0.0 111.388 175.371 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 32.7 t -114.73 111.73 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 104.678 -2.342 . . . . 0.0 104.678 168.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -80.5 149.58 29.98 Favored 'General case' 0 C--N 1.332 -0.156 0 O-C-N 121.223 -0.923 . . . . 0.0 109.56 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -41.56 -55.79 2.77 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -59.48 -43.73 93.22 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 121.621 -0.674 . . . . 0.0 109.758 -175.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -68.39 -37.12 80.08 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.14 0.576 . . . . 0.0 110.182 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -55.11 -53.88 50.21 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.131 0.573 . . . . 0.0 110.148 170.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 23.3 mm -58.14 -51.39 71.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 118.602 0.637 . . . . 0.0 110.081 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 64.5 m -51.4 -51.37 55.34 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.553 0.741 . . . . 0.0 110.28 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -61.15 -45.03 96.3 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.408 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 38.8 mt -56.93 -35.08 68.64 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.096 0.862 . . . . 0.0 110.733 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.53 -53.66 41.86 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 169.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.02 -44.26 70.79 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 117.104 0.452 . . . . 0.0 111.417 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 tp -58.57 -48.55 80.55 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.176 0.99 . . . . 0.0 109.98 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.58 -37.39 75.68 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.975 0.91 . . . . 0.0 110.335 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 13.2 ttt -71.04 -41.22 71.1 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.462 0.705 . . . . 0.0 111.81 175.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.29 -37.9 65.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -71.97 61.86 0.43 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.164 0.507 . . . . 0.0 110.787 169.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -46.77 -39.17 11.25 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 125.457 1.503 . . . . 0.0 112.711 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -50.24 -43.32 52.95 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.076 0.55 . . . . 0.0 111.355 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.55 80.55 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.908 0.483 . . . . 0.0 110.073 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 62.6 mt -54.41 -47.52 72.66 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.193 0.521 . . . . 0.0 110.312 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -64.96 -47.3 78.11 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.733 1.213 . . . . 0.0 110.426 -175.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.315 0 CA-C-O 117.437 -1.757 . . . . 0.0 111.225 -175.303 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.87 -45.87 29.92 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.115 2.543 . . . . 0.0 111.886 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.3 tp -72.1 -46.41 56.83 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.127 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -51.47 -50.98 58.77 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 122.895 0.478 . . . . 0.0 110.587 -176.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -62.82 -36.96 84.89 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.35 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.6 -53.33 43.16 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 118.533 0.606 . . . . 0.0 111.502 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.8 pt -57.37 -44.08 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.53 -44.18 16.07 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 125.366 1.46 . . . . 0.0 112.657 170.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.18 -60.22 4.21 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.208 1.004 . . . . 0.0 109.754 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -52.05 -46.55 65.15 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.284 0.634 . . . . 0.0 110.17 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.2 mt -61.55 -50.07 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 123.1 0.56 . . . . 0.0 109.891 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.31 -53.88 42.17 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mt -50.22 -52.8 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -55.1 -60.56 3.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.949 0.404 . . . . 0.0 111.322 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -66.85 -26.55 66.96 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 118.681 -0.676 . . . . 0.0 112.549 -169.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -55.56 -55.7 28.88 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.082 0.855 . . . . 0.0 109.224 169.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -67.93 -39.14 83.56 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 119.144 -0.455 . . . . 0.0 111.56 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -57.28 -52.93 63.37 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.262 0.937 . . . . 0.0 109.971 172.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.697 0 C-N-CA 124.571 1.082 . . . . 0.0 111.395 177.646 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.0 m170 . . . . . 0 CA--C 1.537 0.451 0 CA-C-O 121.148 0.499 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.0 m -154.13 152.84 30.88 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.328 1.451 . . . . 0.0 108.037 -173.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.2 mt -127.67 138.08 52.7 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 124.908 1.283 . . . . 0.0 107.862 170.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.8 t -79.4 150.3 31.38 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.534 0.606 . . . . 0.0 109.712 169.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -50.96 -47.94 61.16 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.747 1.219 . . . . 0.0 113.058 -169.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -70.92 -32.4 69.32 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.753 -0.592 . . . . 0.0 110.859 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.97 -41.88 86.1 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -55.68 -48.64 74.73 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 170.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -56.01 -43.76 78.03 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.047 -1.033 . . . . 0.0 110.323 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -56.2 -49.24 74.63 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.788 0.435 . . . . 0.0 110.904 175.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tt -49.43 -52.69 27.16 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.042 0.937 . . . . 0.0 109.59 174.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 50.2 mt -61.92 -55.77 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.371 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -54.16 -41.59 68.66 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 119.465 -0.302 . . . . 0.0 111.38 -176.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.0 -54.41 6.06 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 118.117 0.417 . . . . 0.0 110.646 -177.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -77.16 -52.45 9.24 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -171.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 N--CA 1.451 -0.412 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 -179.565 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 . . . . . 0 CA--C 1.53 0.2 0 CA-C-O 119.369 -0.348 . . . . 0.0 111.631 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.28 -49.44 69.59 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.353 0.597 . . . . 0.0 110.735 171.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.57 -42.32 99.47 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 176.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.43 -43.52 77.92 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 CA-C-O 117.881 -1.057 . . . . 0.0 111.387 175.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.264 10.5 m -71.3 -32.72 47.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 120.902 1.683 . . . . 0.0 112.716 178.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -59.03 -51.52 69.72 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.6 1.091 . . . . 0.0 109.487 169.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tt -54.63 -42.08 70.81 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.339 1.056 . . . . 0.0 111.196 175.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 55.9 ttp -59.87 -48.17 82.77 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.081 0.952 . . . . 0.0 108.531 177.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -55.38 -48.89 73.62 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 175.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -55.06 -50.61 68.7 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.881 0.309 . . . . 0.0 111.654 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.2 mt -56.93 -58.66 7.18 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.101 0.56 . . . . 0.0 110.332 175.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.38 -19.0 63.83 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.96 0.904 . . . . 0.0 113.39 -171.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -42.0 -38.89 1.74 Allowed 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.651 1.18 . . . . 0.0 110.674 174.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -25.99 -55.76 0.07 Allowed 'General case' 0 C--N 1.341 0.201 0 C-N-CA 126.744 2.018 . . . . 0.0 113.173 167.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -161.91 64.06 0.24 Allowed 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 34.64 -64.66 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 130.452 3.501 . . . . 0.0 117.163 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -75.81 -25.14 56.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 124.924 1.29 . . . . 0.0 111.015 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -142.96 156.1 44.81 Favored 'General case' 0 C--N 1.343 0.306 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -170.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.6 p -113.16 130.01 67.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 126.557 1.943 . . . . 0.0 109.166 169.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.53 155.96 23.06 Favored 'General case' 0 C--N 1.34 0.186 0 CA-C-N 118.29 0.496 . . . . 0.0 110.21 176.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -45.2 -55.23 6.01 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -177.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -65.47 -38.71 90.58 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 118.984 -1.087 . . . . 0.0 110.389 -174.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.65 -34.26 76.58 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.839 -0.538 . . . . 0.0 110.952 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -55.88 -51.57 67.09 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.332 0.515 . . . . 0.0 110.045 168.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.8 mm -57.91 -50.44 77.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-N 118.609 0.641 . . . . 0.0 110.436 177.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.4 m -51.8 -47.49 64.24 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.324 1.05 . . . . 0.0 110.561 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -64.28 -44.44 91.7 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.154 178.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.6 mt -55.99 -33.14 64.56 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.335 0.97 . . . . 0.0 110.675 173.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.11 -49.56 71.05 Favored Glycine 0 CA--C 1.533 1.195 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 168.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.23 -44.13 83.51 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 121.624 -0.927 . . . . 0.0 110.939 173.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 tp -58.92 -44.71 91.37 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.584 0.754 . . . . 0.0 110.119 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.62 -47.78 81.25 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.481 0.712 . . . . 0.0 110.551 172.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.9 ttt -58.79 -37.9 77.37 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 122.017 -0.427 . . . . 0.0 111.576 177.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.6 mt -70.96 -42.25 77.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 125.01 1.324 . . . . 0.0 110.697 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -51.49 -50.31 60.14 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 170.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 72.06 -59.06 0.57 Allowed 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 126.245 1.818 . . . . 0.0 113.445 168.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -51.54 -41.33 61.0 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.792 0.837 . . . . 0.0 109.884 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.46 -41.2 6.11 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.642 1.177 . . . . 0.0 112.423 173.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 51.1 mt . . . . . 0 CA--C 1.53 0.21 0 C-N-CA 123.441 0.696 . . . . 0.0 110.349 179.548 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.46 -37.24 97.92 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 122.941 2.427 . . . . 0.0 112.773 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 53.8 tp -80.18 -46.8 15.73 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -49.55 -47.1 49.35 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 123.033 0.533 . . . . 0.0 110.82 -176.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -60.75 -37.89 83.32 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.29 -52.05 25.75 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 121.585 -0.697 . . . . 0.0 110.677 -177.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.6 pt -58.33 -42.78 84.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 119.61 -0.836 . . . . 0.0 108.984 174.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.92 -43.81 17.39 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 125.447 1.499 . . . . 0.0 112.138 170.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -59.33 5.59 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.167 0.983 . . . . 0.0 110.18 178.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -52.07 -46.31 65.09 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.152 0.581 . . . . 0.0 110.21 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.1 -50.84 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.104 0.562 . . . . 0.0 109.769 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.8 -53.52 38.98 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 9.9 mt -50.7 -56.24 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 175.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -49.31 -54.98 14.37 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 117.958 0.345 . . . . 0.0 110.58 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -73.33 -16.71 61.36 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -173.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -61.76 -50.66 71.48 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 120.53 1.514 . . . . 0.0 108.552 168.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -71.87 -56.37 5.84 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.739 0.816 . . . . 0.0 109.282 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 55.8 m -74.61 60.6 0.91 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.57 1.148 . . . . 0.0 109.154 167.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.529 0 N-CA-C 104.782 -3.327 . . . . 0.0 104.782 179.6 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 41.8 m80 . . . . . 0 CA--C 1.534 0.341 0 CA-C-O 121.181 0.515 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 77.5 p -134.74 148.2 50.21 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 126.323 1.849 . . . . 0.0 107.238 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 tt -129.56 125.8 37.06 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 107.329 -1.359 . . . . 0.0 107.329 -176.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 92.3 p -78.96 160.72 27.1 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -169.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.66 -51.6 62.65 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.157 0.983 . . . . 0.0 112.181 -173.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -71.72 -42.43 67.32 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.064 -1.023 . . . . 0.0 110.357 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -57.68 -37.46 73.47 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.845 -0.535 . . . . 0.0 110.098 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -58.16 -50.01 75.02 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 121.821 -0.549 . . . . 0.0 109.627 173.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -54.11 -42.13 69.09 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.479 176.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -57.82 -50.45 73.23 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.217 0.207 . . . . 0.0 110.765 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 tt -50.07 -54.14 22.4 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.034 0.933 . . . . 0.0 109.423 176.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 50.4 mt -59.76 -59.37 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 118.939 -0.553 . . . . 0.0 110.149 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -52.46 -39.85 61.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 119.147 0.885 . . . . 0.0 111.071 -178.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -72.97 -53.16 11.93 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -81.51 -64.83 1.1 Allowed 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 122.163 0.982 . . . . 0.0 109.648 177.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 98.2 mt . . . . . 0 C--N 1.325 -0.475 0 C-N-CA 123.581 0.752 . . . . 0.0 109.308 -174.059 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.58 -46.07 63.34 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 123.749 0.656 . . . . 0.0 110.662 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.7 mp0 -66.23 -45.5 80.45 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 9.1 mm -57.72 -45.47 86.82 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.524 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 19.0 m -72.12 -33.03 45.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 120.337 1.426 . . . . 0.0 112.416 -177.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -59.33 -55.36 35.8 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.272 0.942 . . . . 0.0 109.493 169.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 tt -54.17 -45.1 72.0 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.229 0.612 . . . . 0.0 111.074 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 35.8 ttp -57.95 -49.74 75.76 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.881 1.272 . . . . 0.0 108.737 178.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -54.0 -48.2 70.66 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.339 0.518 . . . . 0.0 109.673 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.11 -38.12 85.2 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -177.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.5 mt -65.48 -66.78 0.5 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.069 0.461 . . . . 0.0 110.278 170.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -61.51 -28.02 69.01 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -169.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 9.3 ptm85 . . . . . 0 C--N 1.341 0.223 0 CA-C-N 119.671 1.123 . . . . 0.0 110.757 -171.869 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.59 133.39 43.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 168.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -80.7 153.06 28.09 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-N 118.628 0.649 . . . . 0.0 110.292 174.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -39.87 -55.14 2.05 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.581 1.152 . . . . 0.0 113.583 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -65.6 -38.1 88.52 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 119.162 -1.015 . . . . 0.0 111.123 -175.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -70.79 -32.4 69.49 Favored 'General case' 0 C--O 1.228 -0.061 0 CA-C-N 119.042 0.837 . . . . 0.0 111.101 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -55.09 -52.33 63.56 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 168.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.0 mm -56.21 -51.34 64.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 O-C-N 122.168 -0.333 . . . . 0.0 110.521 176.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 45.9 m -53.72 -44.95 70.3 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.385 1.074 . . . . 0.0 111.114 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -68.72 -43.69 75.44 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 123.185 0.594 . . . . 0.0 110.128 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 83.3 mt -55.93 -35.94 67.19 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.976 0.807 . . . . 0.0 109.866 170.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.24 -50.28 63.07 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 168.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.67 -48.62 74.74 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 118.347 1.073 . . . . 0.0 111.194 175.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 tp -55.9 -48.64 75.26 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.423 1.089 . . . . 0.0 109.599 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.31 -45.1 88.64 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.667 0.787 . . . . 0.0 110.527 175.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 30.4 ttp -62.03 -42.18 98.89 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.733 0.413 . . . . 0.0 110.762 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.12 -40.63 83.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 123.61 0.764 . . . . 0.0 109.256 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -71.49 55.94 0.24 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.843 0.857 . . . . 0.0 111.939 171.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -40.06 -43.16 1.54 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 127.334 2.254 . . . . 0.0 111.871 169.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -53.15 -49.25 66.99 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.589 0.755 . . . . 0.0 110.63 174.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.14 -38.16 90.07 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.091 -0.381 . . . . 0.0 110.198 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 30.4 mt -57.56 -45.0 85.68 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.07 0.395 . . . . 0.0 110.968 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -43.81 97.83 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 174.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.202 0 CA-C-O 118.038 -1.423 . . . . 0.0 112.995 177.845 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.449 -0.485 0 CA-C-O 117.748 -1.12 . . . . 0.0 113.717 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -51.9 -53.91 6.19 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.487 2.792 . . . . 0.0 112.685 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.7 tp -66.05 -45.48 81.23 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.453 -0.779 . . . . 0.0 109.988 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -53.55 -50.28 65.86 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 122.301 0.24 . . . . 0.0 110.689 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -61.44 -40.74 95.55 Favored 'General case' 0 CA--C 1.528 0.107 0 O-C-N 122.141 -0.35 . . . . 0.0 110.719 178.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.11 -54.91 34.53 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 121.918 -0.489 . . . . 0.0 111.716 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.9 pt -58.5 -42.86 85.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.1 -43.62 18.22 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 125.019 1.295 . . . . 0.0 112.512 170.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.42 -59.71 5.01 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.282 1.041 . . . . 0.0 109.973 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -51.27 -49.51 61.05 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.555 0.742 . . . . 0.0 109.842 178.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.17 -49.77 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.093 -176.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.08 -54.73 34.69 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 125.06 1.314 . . . . 0.0 109.982 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mt -49.9 -57.39 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -51.57 -59.27 4.46 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.851 0.358 . . . . 0.0 110.996 -177.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -69.31 -29.74 67.65 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -171.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -58.66 -48.35 81.37 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.635 0.652 . . . . 0.0 109.538 171.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -62.64 -48.99 76.95 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.219 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.7 m -46.84 -47.31 21.22 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 119.144 0.884 . . . . 0.0 110.298 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 C-N-CA 126.463 1.982 . . . . 0.0 114.538 177.803 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 . . . . . 0 CA--C 1.538 0.492 0 CA-C-O 120.633 0.254 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 p -142.46 114.23 8.04 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.64 1.576 . . . . 0.0 108.41 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.84 153.79 22.0 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 168.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.4 t -94.45 -179.29 4.85 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.638 0.654 . . . . 0.0 109.654 169.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -64.16 -67.53 0.42 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.647 1.179 . . . . 0.0 111.214 -169.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -60.68 -33.31 72.67 Favored 'General case' 0 C--O 1.226 -0.184 0 O-C-N 121.696 -0.628 . . . . 0.0 110.347 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -61.24 -47.11 87.58 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.111 0.564 . . . . 0.0 110.472 176.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -56.91 -48.6 77.85 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.693 -0.629 . . . . 0.0 109.372 171.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -54.75 -44.34 73.51 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.147 -0.971 . . . . 0.0 110.805 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -54.92 -52.46 62.85 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.351 1.461 . . . . 0.0 110.348 175.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -46.07 -53.43 10.24 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.803 0.841 . . . . 0.0 109.873 172.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.6 mt -63.71 -44.36 98.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.941 -0.474 . . . . 0.0 111.482 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -61.79 -44.66 96.43 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.909 -0.494 . . . . 0.0 109.694 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -78.9 -42.5 27.04 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 111.463 0.171 . . . . 0.0 111.463 -172.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -79.95 -60.12 2.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.8 mt . . . . . 0 N--CA 1.461 0.102 0 O-C-N 121.899 -0.501 . . . . 0.0 110.402 -169.311 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.225 -0.206 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.28 -48.71 68.11 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.384 0.611 . . . . 0.0 111.104 173.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -61.39 -46.0 92.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.4 mm -55.7 -47.04 79.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-O 118.777 -0.63 . . . . 0.0 110.505 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.25 23.9 m -71.82 -32.21 43.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 119.466 1.03 . . . . 0.0 112.241 -177.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -59.62 -51.02 71.61 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.217 0.917 . . . . 0.0 109.251 169.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tt -55.0 -44.3 74.38 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.642 0.777 . . . . 0.0 111.202 176.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 62.6 ttp -58.02 -51.35 70.02 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.514 1.125 . . . . 0.0 108.984 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -52.52 -49.41 64.87 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 123.086 0.555 . . . . 0.0 109.926 175.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -60.22 -38.21 82.68 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.86 -0.525 . . . . 0.0 111.692 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mt -66.74 -52.63 42.2 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.318 0.647 . . . . 0.0 111.436 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -72.58 -33.72 66.96 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 121.843 -0.536 . . . . 0.0 112.094 -173.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.3 tpt85 -53.3 -37.95 62.69 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 123.098 0.559 . . . . 0.0 111.09 -169.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -50.05 -32.75 16.28 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.047 0.939 . . . . 0.0 112.166 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -137.45 56.82 1.76 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 168.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 p30 49.25 -87.68 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.634 1.973 . . . . 0.0 113.723 176.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -90.7 -35.0 15.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.514 1.126 . . . . 0.0 111.183 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -93.01 124.44 36.98 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.573 0.701 . . . . 0.0 110.177 -169.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.9 t -79.18 91.08 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 168.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -77.5 145.25 37.12 Favored 'General case' 0 CA--C 1.528 0.111 0 O-C-N 122.138 -0.352 . . . . 0.0 110.189 -175.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -45.62 -58.07 3.71 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -170.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -61.66 -34.67 76.13 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.022 -1.049 . . . . 0.0 110.828 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -68.0 -39.72 83.15 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.189 0.596 . . . . 0.0 109.41 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -55.48 -52.81 62.41 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.876 0.471 . . . . 0.0 110.304 169.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.8 mm -56.75 -52.09 58.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 118.462 0.573 . . . . 0.0 110.417 178.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.5 m -53.1 -48.7 67.58 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.169 0.988 . . . . 0.0 110.41 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -62.0 -44.24 97.14 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 119.167 -0.444 . . . . 0.0 110.43 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.15 -35.25 69.29 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.381 0.991 . . . . 0.0 110.202 173.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.59 -50.74 62.69 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 169.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.7 -47.47 79.85 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.538 -0.978 . . . . 0.0 111.201 176.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.5 tp -53.74 -49.58 67.86 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.433 1.493 . . . . 0.0 109.512 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.22 -44.39 88.19 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.024 0.929 . . . . 0.0 111.136 176.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 20.7 ttt -64.66 -41.24 96.24 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.992 -0.443 . . . . 0.0 111.046 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.45 -42.21 92.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 C-N-CA 124.371 1.068 . . . . 0.0 109.046 174.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.5 m-30 -72.11 57.59 0.35 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.349 0.66 . . . . 0.0 109.697 169.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -56.56 -35.24 67.92 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.363 -0.836 . . . . 0.0 111.892 -171.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -47.52 -43.74 25.09 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.482 1.113 . . . . 0.0 111.387 171.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.42 91.26 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 122.908 0.483 . . . . 0.0 110.852 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 CA--C 1.528 0.108 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 175.907 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.541 0.618 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -46.15 -44.54 19.41 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.988 3.125 . . . . 0.0 114.229 174.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 tp -75.19 -46.03 36.7 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.977 0.808 . . . . 0.0 109.553 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -51.03 -48.19 61.52 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 123.444 0.698 . . . . 0.0 110.714 -177.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -61.14 -40.11 92.61 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 117.914 0.324 . . . . 0.0 111.301 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.36 -54.67 25.51 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.831 -0.543 . . . . 0.0 110.886 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 42.5 pt -58.13 -42.48 83.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 120.03 -0.668 . . . . 0.0 109.217 175.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.15 -43.76 13.85 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 126.016 1.769 . . . . 0.0 112.276 170.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.68 -61.08 2.88 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.802 0.841 . . . . 0.0 109.864 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -52.25 -46.22 65.69 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.767 0.827 . . . . 0.0 110.127 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 59.5 mt -58.5 -54.41 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 123.737 0.815 . . . . 0.0 109.846 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.83 -52.21 53.52 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mt -47.88 -48.9 11.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 123.405 0.682 . . . . 0.0 110.083 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -66.95 -64.14 0.91 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.21 0.529 . . . . 0.0 111.759 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.97 -31.05 70.64 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -166.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -63.83 -46.31 85.62 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 120.24 -0.584 . . . . 0.0 109.836 172.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -71.25 -44.22 65.7 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 119.255 -0.402 . . . . 0.0 111.879 -175.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.9 p -62.04 -46.96 86.85 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 119.261 0.937 . . . . 0.0 109.413 171.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 C-N-CA 124.27 0.938 . . . . 0.0 112.037 173.368 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t -138.05 148.01 44.65 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 124.487 1.115 . . . . 0.0 110.46 173.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 tt -133.72 121.23 21.63 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -169.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 25.3 p -78.91 170.82 16.09 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.508 0.67 . . . . 0.0 111.83 -171.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -57.43 -62.39 1.81 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.619 1.168 . . . . 0.0 112.221 -168.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -70.25 -30.76 67.88 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.639 -0.663 . . . . 0.0 110.487 -175.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -61.26 -43.37 98.99 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.461 -0.774 . . . . 0.0 109.501 173.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.23 -48.37 81.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 173.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -50.71 -46.41 58.94 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.489 -0.757 . . . . 0.0 110.666 175.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -58.9 -47.52 84.69 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 122.661 0.384 . . . . 0.0 110.869 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tt -50.8 -54.57 22.48 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.348 0.659 . . . . 0.0 110.03 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 80.5 mt -59.29 -53.58 46.13 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -56.86 -28.76 62.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 123.318 0.647 . . . . 0.0 111.721 -175.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -78.85 -58.3 3.31 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.439 0.563 . . . . 0.0 112.179 170.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -68.83 -69.57 0.32 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 122.753 1.264 . . . . 0.0 108.922 -175.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 65.7 mt . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 -176.41 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 119.579 -0.248 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.46 -47.49 72.87 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.293 0.497 . . . . 0.0 111.245 169.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -63.12 -43.46 98.34 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 37.5 mm -56.08 -43.95 77.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 CA-C-O 117.943 -1.027 . . . . 0.0 111.525 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 m -65.45 -33.05 61.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 120.88 1.673 . . . . 0.0 112.291 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -62.0 -50.3 72.59 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.116 -0.99 . . . . 0.0 109.779 171.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.27 -39.63 83.53 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.939 -0.476 . . . . 0.0 111.439 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.0 ttp -58.04 -53.46 58.05 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 125.085 1.354 . . . . 0.0 108.735 173.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -50.8 -50.65 55.74 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -55.53 -52.29 64.2 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 117.807 0.276 . . . . 0.0 111.04 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mt -53.7 -57.55 10.41 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 123.61 0.764 . . . . 0.0 111.624 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -63.77 -38.96 93.06 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 121.736 -0.602 . . . . 0.0 110.891 -178.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 . . . . . 0 C--O 1.231 0.107 0 C-N-CA 123.967 0.907 . . . . 0.0 110.022 177.459 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 . . . . . 0 C--O 1.233 0.225 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 14.5 p -76.65 118.15 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -170.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -84.25 148.65 26.58 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -44.24 -60.46 1.9 Allowed 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -169.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -59.61 -38.59 81.68 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.322 -0.861 . . . . 0.0 110.909 -176.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 -66.23 -40.11 90.03 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.448 1.099 . . . . 0.0 110.549 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -55.46 -50.17 70.58 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.843 -0.535 . . . . 0.0 110.051 170.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.4 mm -57.6 -47.95 84.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.6 m -52.01 -47.71 64.82 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.964 0.906 . . . . 0.0 110.431 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -63.95 -45.06 90.85 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 122.671 0.388 . . . . 0.0 110.589 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.8 mt -57.42 -34.69 69.19 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.151 -0.968 . . . . 0.0 110.489 173.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.75 -49.42 70.6 Favored Glycine 0 CA--C 1.532 1.14 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 168.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.14 -50.89 63.62 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 117.368 0.584 . . . . 0.0 110.648 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.9 tp -56.4 -45.17 80.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.156 0.983 . . . . 0.0 110.312 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.77 89.04 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.348 0.659 . . . . 0.0 111.046 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 27.4 ptm -68.64 -33.24 73.66 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.133 0.879 . . . . 0.0 112.471 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 70.5 mt -56.41 -44.26 79.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -73.54 50.33 0.32 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.799 0.839 . . . . 0.0 111.342 169.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -41.15 -40.55 1.56 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 127.3 2.24 . . . . 0.0 112.127 171.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -54.47 -45.37 73.15 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.42 0.688 . . . . 0.0 111.151 176.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.75 94.2 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.942 0.497 . . . . 0.0 110.182 176.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.82 -51.71 68.81 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.927 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -66.78 -43.16 84.71 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.622 0.249 . . . . 0.0 110.748 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.26 0 CA-C-O 117.432 -1.76 . . . . 0.0 111.25 -178.484 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.536 0.436 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.82 -37.17 97.39 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.5 2.133 . . . . 0.0 113.284 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.1 tp -81.22 -46.43 14.84 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 118.349 0.522 . . . . 0.0 109.733 174.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -50.29 -45.56 54.6 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 123.819 0.848 . . . . 0.0 110.543 -176.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -59.98 -38.48 82.67 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 117.987 0.358 . . . . 0.0 111.707 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.6 -53.96 13.9 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.717 -0.614 . . . . 0.0 110.551 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.4 pt -57.93 -41.56 80.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 119.726 -0.789 . . . . 0.0 109.1 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.52 -43.21 20.65 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 125.852 1.691 . . . . 0.0 112.243 169.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.48 -60.36 3.97 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.548 1.174 . . . . 0.0 109.962 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -50.85 -47.63 60.21 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 123.442 0.697 . . . . 0.0 110.219 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.45 -49.19 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.253 0.621 . . . . 0.0 109.648 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.54 -53.43 46.04 Favored Glycine 0 CA--C 1.522 0.522 0 C-N-CA 124.427 1.013 . . . . 0.0 110.6 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.1 mt -49.55 -55.12 5.08 Favored 'Isoleucine or valine' 0 C--N 1.339 0.119 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 175.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -53.6 -55.85 22.22 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.331 0.586 . . . . 0.0 111.475 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.4 -19.82 65.45 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 118.089 -0.958 . . . . 0.0 113.545 -170.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -58.72 -52.31 66.23 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.343 1.429 . . . . 0.0 108.959 168.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -75.38 -40.89 57.51 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.726 -173.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 m -63.51 -36.83 85.07 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.22 -0.925 . . . . 0.0 110.602 170.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.557 0 C-N-CA 125.69 1.614 . . . . 0.0 109.922 169.798 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.7 m -158.47 152.64 24.03 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.429 1.892 . . . . 0.0 106.037 -172.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.4 mt -122.3 140.23 52.87 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 170.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.2 m -77.2 151.26 35.29 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 168.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -49.14 -40.98 34.68 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -168.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -74.85 -32.36 61.9 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.778 -0.576 . . . . 0.0 111.464 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.87 -44.77 92.11 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 173.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -54.95 -49.87 70.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 170.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -54.74 -42.27 71.42 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.326 -0.859 . . . . 0.0 110.292 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -58.12 -50.29 74.0 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.375 0.534 . . . . 0.0 111.126 175.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -46.54 -54.13 9.95 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.423 0.689 . . . . 0.0 110.016 172.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.5 mt -61.15 -55.75 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 O-C-N 122.102 -0.374 . . . . 0.0 110.608 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -53.69 -39.82 65.48 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 122.528 0.331 . . . . 0.0 111.136 -176.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -77.97 -56.19 4.69 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.88 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -75.01 -55.48 5.7 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.047 0.451 . . . . 0.0 110.089 -171.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.0 mt . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 179.616 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 119.316 -0.373 . . . . 0.0 111.474 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.8 -49.26 71.42 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.247 0.476 . . . . 0.0 111.312 172.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -60.18 -47.3 86.53 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 176.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.7 mm -54.74 -43.3 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.985 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.326 13.5 m -69.41 -32.93 55.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 120.362 1.437 . . . . 0.0 113.069 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -62.82 -47.55 82.91 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 119.072 -1.051 . . . . 0.0 109.318 169.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.83 -45.14 82.54 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.732 -0.605 . . . . 0.0 112.036 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -36.64 78.12 Favored 'General case' 0 C--N 1.34 0.159 0 O-C-N 121.073 -1.017 . . . . 0.0 109.706 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -54.89 -53.08 60.09 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 171.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -53.42 -51.93 61.02 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.563 0.345 . . . . 0.0 111.55 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mt -53.69 -54.46 37.54 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 122.941 0.496 . . . . 0.0 111.099 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -31.11 63.5 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.965 -0.54 . . . . 0.0 112.0 -170.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -48.14 -42.89 30.56 Favored 'General case' 0 C--N 1.338 0.107 0 C-N-CA 124.276 1.03 . . . . 0.0 110.47 -173.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -43.05 -39.85 2.88 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.461 1.104 . . . . 0.0 112.498 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -138.5 60.44 1.61 Allowed 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 169.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 13.37 88.75 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 128.04 2.536 . . . . 0.0 114.824 173.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 96.57 -27.48 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 128.144 2.578 . . . . 0.0 112.621 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -103.54 108.14 19.28 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.992 0.917 . . . . 0.0 109.426 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.3 t -78.63 93.44 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 173.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -77.13 146.67 37.02 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.835 -0.541 . . . . 0.0 109.933 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -43.55 -51.47 6.8 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.034 0.934 . . . . 0.0 113.399 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -57.85 -43.73 86.07 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.372 0.606 . . . . 0.0 110.033 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -70.43 -37.62 74.42 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.515 0.726 . . . . 0.0 110.169 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -53.84 -53.84 46.9 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.189 0.596 . . . . 0.0 110.132 169.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.0 mm -59.2 -50.28 80.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 118.502 0.592 . . . . 0.0 110.381 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 50.8 m -51.27 -46.84 62.55 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.495 0.718 . . . . 0.0 110.765 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -65.77 -43.12 89.79 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.165 0.586 . . . . 0.0 110.551 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.4 mt -56.56 -35.27 67.95 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.594 1.088 . . . . 0.0 110.289 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.56 -49.79 67.26 Favored Glycine 0 CA--C 1.533 1.161 0 N-CA-C 111.374 -0.691 . . . . 0.0 111.374 168.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.77 -45.35 78.14 Favored 'General case' 0 C--O 1.224 -0.26 0 O-C-N 121.849 -0.795 . . . . 0.0 111.133 173.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.5 tp -58.26 -45.95 86.88 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.407 1.083 . . . . 0.0 109.809 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.8 -52.12 65.08 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.534 0.733 . . . . 0.0 110.423 173.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -57.32 -41.0 79.09 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.984 0.514 . . . . 0.0 111.701 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.6 mt -68.5 -45.49 81.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 125.013 1.325 . . . . 0.0 110.458 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -52.68 -47.36 67.25 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 171.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 73.05 -57.53 0.63 Allowed 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 125.471 1.508 . . . . 0.0 113.73 167.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -50.14 -40.34 46.04 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.194 0.597 . . . . 0.0 109.949 174.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.49 -42.87 7.48 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.186 1.394 . . . . 0.0 112.329 173.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 40.5 mt . . . . . 0 CA--C 1.532 0.254 0 C-N-CA 123.231 0.613 . . . . 0.0 110.964 -179.694 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.48 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.93 -45.59 39.75 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.472 2.781 . . . . 0.0 111.901 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 56.8 tp -67.95 -46.18 72.17 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -52.92 -50.19 64.45 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 122.924 0.489 . . . . 0.0 110.611 -178.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -61.08 -41.05 95.91 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.121 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.33 -54.85 34.49 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.723 -0.611 . . . . 0.0 111.982 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 32.2 pt -57.43 -43.58 82.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.43 -42.4 13.44 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 125.427 1.489 . . . . 0.0 112.492 171.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -60.4 3.89 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.127 0.963 . . . . 0.0 109.928 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -51.44 -48.12 62.82 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.451 0.701 . . . . 0.0 110.213 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.41 -56.34 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 123.863 0.865 . . . . 0.0 108.983 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.04 -52.1 41.94 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 124.39 0.995 . . . . 0.0 111.261 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mt -51.11 -52.94 16.53 Favored 'Isoleucine or valine' 0 C--N 1.34 0.156 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -57.36 -61.78 2.24 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 120.813 0.339 . . . . 0.0 111.636 -177.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -68.67 -23.21 64.37 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -169.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -59.59 -51.07 71.39 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 120.032 1.287 . . . . 0.0 109.428 169.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -64.36 -41.51 96.68 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 119.142 -0.456 . . . . 0.0 111.451 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 15.4 m -55.27 -52.94 61.79 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.944 0.793 . . . . 0.0 110.172 171.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.593 0 C-N-CA 125.801 1.667 . . . . 0.0 111.634 -178.846 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 18.2 m170 . . . . . 0 CA--C 1.534 0.338 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 97.6 m -140.85 158.89 43.31 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.309 1.444 . . . . 0.0 108.608 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 94.5 mt -124.49 139.27 54.04 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 124.84 1.256 . . . . 0.0 107.67 169.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.3 t -79.34 153.3 29.9 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 168.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -50.93 -46.3 60.83 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.54 0.736 . . . . 0.0 112.796 -171.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -71.7 -29.48 64.61 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.186 -0.946 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -66.14 -41.85 89.9 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -56.04 -48.89 75.15 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 170.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -53.21 -48.2 68.32 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 120.91 -1.119 . . . . 0.0 110.589 175.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -54.58 -47.06 73.75 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 122.537 0.335 . . . . 0.0 110.932 177.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 tt -51.09 -54.18 27.34 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 124.148 0.979 . . . . 0.0 109.514 174.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 47.5 mt -59.6 -49.45 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 O-C-N 122.056 -0.403 . . . . 0.0 110.995 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -57.62 -42.26 82.99 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 122.209 -0.307 . . . . 0.0 110.813 -177.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -74.93 -51.19 14.41 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.617 0.644 . . . . 0.0 112.125 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -80.37 -45.41 17.77 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.321 0.648 . . . . 0.0 112.245 -169.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 CA--C 1.532 0.262 0 C-N-CA 123.215 0.606 . . . . 0.0 109.504 -176.782 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 . . . . . 0 CA--C 1.532 0.288 0 CA-C-O 119.417 -0.325 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.12 78.26 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.049 0.452 . . . . 0.0 111.296 172.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -60.59 -45.88 92.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 18.1 mm -57.29 -42.14 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-O 117.605 -1.188 . . . . 0.0 111.311 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 m -68.73 -36.85 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 121.138 1.79 . . . . 0.0 112.47 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.51 -52.22 66.5 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.106 0.866 . . . . 0.0 109.696 173.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.54 -42.95 79.35 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.625 1.17 . . . . 0.0 111.245 177.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 60.9 ttp -58.07 -49.22 77.67 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.85 1.26 . . . . 0.0 108.551 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -56.49 -49.17 75.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 176.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -56.55 -41.69 77.26 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 122.023 -0.423 . . . . 0.0 112.102 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.53 -51.69 64.38 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.851 0.86 . . . . 0.0 110.689 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.45 -27.28 56.11 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -170.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 45.2 ttm180 . . . . . 0 CA--C 1.529 0.138 0 C-N-CA 123.654 0.781 . . . . 0.0 110.514 -176.685 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 3.1 t -107.06 106.24 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 125.138 1.375 . . . . 0.0 107.525 177.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -80.53 152.22 28.77 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.835 -0.54 . . . . 0.0 110.215 174.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -43.47 -60.65 1.65 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -170.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.84 -36.02 82.53 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 118.99 -1.084 . . . . 0.0 110.599 -174.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -62.76 -41.85 99.41 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.26 0.624 . . . . 0.0 109.731 177.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -54.06 -53.51 52.09 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 117.831 0.287 . . . . 0.0 110.795 170.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.3 mm -56.36 -49.46 76.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 118.006 0.366 . . . . 0.0 110.087 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 48.9 m -53.31 -49.91 66.03 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.399 1.079 . . . . 0.0 110.162 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -61.03 -46.22 91.59 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 119.307 -0.377 . . . . 0.0 110.454 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 61.4 mt -56.79 -35.47 68.75 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.057 0.844 . . . . 0.0 110.5 174.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.67 -51.94 53.63 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 169.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.68 -46.03 81.39 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 117.76 0.78 . . . . 0.0 111.25 176.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.3 tp -55.17 -49.35 72.07 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.654 1.182 . . . . 0.0 109.711 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.65 92.87 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.494 0.718 . . . . 0.0 111.148 177.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.06 -47.0 86.62 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 71.2 mt -56.51 -40.45 68.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -72.31 60.04 0.43 Allowed 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.812 -0.555 . . . . 0.0 111.563 171.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -48.71 -33.41 10.09 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.232 -0.918 . . . . 0.0 111.682 169.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -55.13 -46.72 75.64 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.486 0.714 . . . . 0.0 110.328 173.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.89 82.95 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.888 0.475 . . . . 0.0 110.052 177.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 55.2 mt -53.1 -51.69 61.06 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 117.692 0.224 . . . . 0.0 110.853 176.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -64.9 -46.87 79.94 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 117.09 -1.95 . . . . 0.0 111.384 179.76 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -61.52 -46.67 13.69 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.226 1.951 . . . . 0.0 112.607 -174.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.3 tp -77.69 -44.63 27.35 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -51.18 -47.17 62.25 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.588 0.755 . . . . 0.0 110.81 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -62.26 -36.1 81.0 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 119.855 -0.738 . . . . 0.0 111.558 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.52 -53.05 17.73 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.758 -0.589 . . . . 0.0 110.785 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.5 pt -58.03 -41.98 81.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.93 -46.07 25.85 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.978 1.275 . . . . 0.0 112.141 170.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.77 -59.63 4.74 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.227 1.013 . . . . 0.0 110.051 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -50.41 -50.39 51.95 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 123.334 0.654 . . . . 0.0 109.748 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.66 -46.28 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.97 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.06 -54.95 33.75 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mt -51.58 -53.55 15.96 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 CA-C-N 117.386 0.593 . . . . 0.0 109.419 178.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -55.72 -63.16 1.26 Allowed 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.845 -178.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -72.64 -22.71 60.9 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 119.218 -0.42 . . . . 0.0 111.96 -169.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -59.52 -50.1 75.2 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 169.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -60.34 -46.93 88.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.475 -0.774 . . . . 0.0 111.426 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 m -50.0 -54.46 19.97 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.164 0.893 . . . . 0.0 110.721 172.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 C-N-CA 125.566 1.555 . . . . 0.0 112.074 179.861 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 . . . . . 0 CA--C 1.54 0.588 0 CA-C-O 121.747 0.784 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 t -156.18 164.6 38.17 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 126.56 1.944 . . . . 0.0 106.724 -176.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.7 mt -132.99 149.81 52.21 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.372 1.069 . . . . 0.0 109.018 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.2 p -95.34 178.75 5.41 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.93 1.292 . . . . 0.0 111.019 175.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -60.48 -68.15 0.33 Allowed 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.16 0.984 . . . . 0.0 112.088 -170.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -63.42 -35.9 81.95 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.785 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -56.79 -49.19 76.06 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.03 0.532 . . . . 0.0 109.729 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.81 -48.38 81.92 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -55.66 -42.21 74.75 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 119.298 -0.961 . . . . 0.0 110.603 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -62.54 -38.54 90.41 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.241 1.016 . . . . 0.0 111.193 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 tt -55.31 -54.18 46.84 Favored 'General case' 0 C--N 1.338 0.098 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 169.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.2 mt -62.78 -46.95 95.06 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 CA-C-O 119.015 -0.517 . . . . 0.0 111.306 -175.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -58.36 -40.4 82.15 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 119.524 1.057 . . . . 0.0 111.069 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.31 -54.67 18.65 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.336 0.516 . . . . 0.0 110.055 177.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -75.24 -46.51 33.36 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -169.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.9 mt . . . . . 0 C--N 1.33 -0.258 0 C-N-CA 125.648 1.579 . . . . 0.0 107.345 -177.679 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 . . . . . 0 C--O 1.225 -0.203 0 N-CA-C 111.493 0.183 . . . . 0.0 111.493 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.73 -48.77 40.33 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.683 1.193 . . . . 0.0 111.28 172.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -65.1 -42.36 94.11 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.0 mm -57.79 -47.57 85.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 118.969 -0.538 . . . . 0.0 110.604 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.1 m -66.69 -36.6 77.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 119.68 1.127 . . . . 0.0 111.664 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -58.79 -51.45 69.93 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.025 0.829 . . . . 0.0 110.194 172.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.64 -45.17 73.72 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.277 1.031 . . . . 0.0 110.877 176.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -60.2 -47.59 85.33 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.748 0.819 . . . . 0.0 109.569 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -54.05 -52.8 59.74 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -53.3 -49.13 67.63 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.966 0.506 . . . . 0.0 111.019 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mt -50.97 -60.89 2.61 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.435 0.694 . . . . 0.0 110.409 175.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -73.51 -24.93 60.23 Favored 'General case' 0 CA--C 1.527 0.093 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -171.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -53.33 -36.0 60.81 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.533 0.733 . . . . 0.0 110.654 -176.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -44.75 -38.59 4.56 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.571 1.149 . . . . 0.0 112.51 175.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -131.01 54.01 1.94 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.962 0.887 . . . . 0.0 109.649 169.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.2 p30 54.01 -17.6 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 119.568 3.173 . . . . 0.0 119.568 167.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -166.92 -39.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 120.313 1.415 . . . . 0.0 111.251 -170.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -110.78 146.34 36.55 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 172.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.6 p -93.53 126.44 45.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 168.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -88.16 160.27 17.82 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -44.79 -61.79 1.46 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -175.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -63.66 -32.82 74.42 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.087 -1.008 . . . . 0.0 110.907 -175.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -62.14 -45.66 92.44 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -54.42 -52.07 62.91 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.681 0.793 . . . . 0.0 110.422 173.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.0 mm -57.52 -51.13 73.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 118.507 0.594 . . . . 0.0 110.608 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.1 m -54.1 -47.92 71.26 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.654 0.781 . . . . 0.0 110.06 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -60.86 -44.74 96.6 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 119.112 -0.471 . . . . 0.0 110.39 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.0 mt -56.78 -34.96 68.15 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.357 0.981 . . . . 0.0 110.62 173.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.38 -52.01 54.23 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 121.733 -0.604 . . . . 0.0 111.601 169.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.57 -44.64 77.04 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.76 -0.847 . . . . 0.0 111.19 175.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.9 tp -58.95 -44.73 91.48 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.538 1.135 . . . . 0.0 109.895 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.75 90.59 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.553 0.741 . . . . 0.0 110.947 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 68.6 mtm -59.06 -45.38 90.95 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.489 0.586 . . . . 0.0 111.515 173.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 80.3 mt -58.5 -44.87 89.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -73.08 54.02 0.38 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.733 0.813 . . . . 0.0 110.05 171.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -57.65 -30.95 65.83 Favored 'General case' 0 N--CA 1.457 -0.109 0 O-C-N 121.271 -0.893 . . . . 0.0 112.613 -169.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -46.2 -43.79 15.57 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.327 1.051 . . . . 0.0 111.253 171.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.3 95.16 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 122.69 0.396 . . . . 0.0 110.64 177.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.363 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -52.5 -52.58 8.56 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.711 2.274 . . . . 0.0 114.266 -169.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 59.6 tp -72.46 -45.63 58.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 121.535 -0.728 . . . . 0.0 109.794 177.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -52.37 -45.74 65.91 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.687 0.395 . . . . 0.0 111.049 -176.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -66.83 -36.01 81.36 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.147 0.43 . . . . 0.0 111.063 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.2 -53.87 32.06 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 121.676 -0.64 . . . . 0.0 111.013 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 35.5 pt -58.24 -41.9 82.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 174.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.18 -41.38 11.34 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.658 1.599 . . . . 0.0 112.694 169.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.41 -59.63 4.96 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.417 1.108 . . . . 0.0 109.716 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -52.63 -47.52 66.98 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.486 0.714 . . . . 0.0 109.984 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.2 mt -59.74 -50.23 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 124.049 0.94 . . . . 0.0 109.865 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.67 -54.72 35.52 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 125.008 1.29 . . . . 0.0 110.048 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mt -48.17 -53.28 6.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 176.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -57.83 -56.48 21.43 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.335 -178.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -73.45 -28.06 61.75 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 121.911 -0.493 . . . . 0.0 112.164 -170.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -59.79 -51.91 67.71 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 170.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -56.76 -57.03 14.22 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.49 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.9 t -46.18 -51.42 14.19 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.02 0.928 . . . . 0.0 111.334 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.825 0 C-N-CA 124.725 1.155 . . . . 0.0 112.586 177.57 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 22.8 m170 . . . . . 0 CA--C 1.539 0.548 0 CA-C-O 120.765 0.317 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -151.3 150.78 30.93 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.995 1.718 . . . . 0.0 107.675 -169.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 96.6 mt -125.65 155.7 40.42 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 168.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.9 p -87.73 157.82 18.96 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 168.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -64.56 -43.54 93.6 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 120.896 -1.128 . . . . 0.0 113.249 -170.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -71.14 -35.53 71.75 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.078 -1.014 . . . . 0.0 110.595 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -56.81 -48.65 77.48 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 171.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -53.72 -49.0 69.05 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.009 0.524 . . . . 0.0 109.773 172.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -49.3 -48.56 46.1 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.251 -0.906 . . . . 0.0 109.79 176.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.26 -46.95 88.04 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.972 0.909 . . . . 0.0 111.941 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -47.6 -53.2 15.34 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.293 1.037 . . . . 0.0 109.017 174.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 73.1 mt -59.86 -44.8 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.952 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.27 -43.0 96.56 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 119.376 0.989 . . . . 0.0 110.691 -175.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -70.6 -56.65 6.0 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.709 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -74.91 -47.67 28.64 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.218 -0.302 . . . . 0.0 111.493 -169.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 74.9 mt . . . . . 0 CA--C 1.533 0.319 0 C-N-CA 125.626 1.57 . . . . 0.0 109.612 -176.903 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.416 0.15 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.06 -45.89 64.91 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.907 0.883 . . . . 0.0 110.741 175.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -66.34 -43.64 85.54 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 30.5 mm -53.63 -52.95 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-O 118.664 -0.684 . . . . 0.0 109.939 173.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.291 15.5 m -67.08 -34.64 71.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 119.561 1.073 . . . . 0.0 112.183 -174.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -56.95 -53.34 59.17 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.876 0.762 . . . . 0.0 110.057 169.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tt -56.47 -42.11 77.68 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.525 0.73 . . . . 0.0 111.397 178.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -62.5 -42.45 99.51 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.377 1.071 . . . . 0.0 109.734 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -57.49 -49.48 76.16 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.022 0.374 . . . . 0.0 110.049 172.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -54.28 -50.31 67.55 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 117.757 0.253 . . . . 0.0 111.205 177.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.3 mt -55.21 -55.54 30.09 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.221 0.608 . . . . 0.0 110.698 175.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -71.16 -21.11 62.22 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -172.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 CA--C 1.532 0.265 0 C-N-CA 124.053 0.941 . . . . 0.0 110.912 176.708 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.3 t -116.66 111.08 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 126.916 2.087 . . . . 0.0 105.605 169.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -79.36 146.92 32.62 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 121.72 -0.613 . . . . 0.0 109.649 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -45.16 -51.09 10.86 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.372 1.069 . . . . 0.0 113.198 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -57.38 -47.25 82.16 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.669 -0.644 . . . . 0.0 110.034 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -69.14 -34.93 75.78 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 119.442 -0.313 . . . . 0.0 110.662 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -54.94 -53.87 50.02 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.365 0.53 . . . . 0.0 110.051 169.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.0 mm -58.37 -50.69 77.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 118.672 0.669 . . . . 0.0 110.227 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 35.5 m -52.83 -45.75 67.45 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.495 0.718 . . . . 0.0 110.779 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -66.34 -43.76 85.18 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 123.552 0.741 . . . . 0.0 110.206 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 80.9 mt -56.69 -35.32 68.34 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.179 0.9 . . . . 0.0 110.058 172.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.57 -50.14 64.95 Favored Glycine 0 CA--C 1.532 1.139 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 168.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.93 -45.93 78.62 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.58 -0.953 . . . . 0.0 111.182 174.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.1 tp -58.08 -46.32 85.66 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.182 0.993 . . . . 0.0 109.723 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.88 -42.97 85.7 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.722 0.809 . . . . 0.0 110.746 174.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 36.0 ttm -60.51 -44.74 95.7 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.996 -0.44 . . . . 0.0 111.227 174.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.99 -41.56 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.285 0.634 . . . . 0.0 109.35 174.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -73.15 58.81 0.52 Allowed 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.858 -0.527 . . . . 0.0 110.556 169.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -51.09 -40.47 58.46 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.569 1.148 . . . . 0.0 111.581 -175.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -57.64 -35.78 70.97 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.93 0.492 . . . . 0.0 111.482 178.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.84 -47.11 84.8 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 10.6 mt -60.89 -40.66 93.9 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 121.134 -0.227 . . . . 0.0 110.883 176.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -56.14 -46.8 79.11 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.465 0.706 . . . . 0.0 109.893 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.175 0 CA-C-O 117.242 -1.866 . . . . 0.0 111.632 174.602 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.528 0 CA-C-O 118.667 -0.682 . . . . 0.0 112.032 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -44.62 -44.13 14.01 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.599 2.866 . . . . 0.0 114.708 171.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.4 tp -72.46 -49.59 32.23 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 119.664 1.12 . . . . 0.0 110.441 176.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -50.74 -47.85 59.27 Favored 'General case' 0 N--CA 1.458 -0.075 0 C-N-CA 124.394 1.078 . . . . 0.0 110.259 -175.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -61.15 -37.16 81.84 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.365 -0.209 . . . . 0.0 111.424 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.56 -54.0 19.43 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.717 -0.614 . . . . 0.0 110.767 -178.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.8 pt -57.34 -43.43 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 174.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.74 -44.02 23.24 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 125.377 1.465 . . . . 0.0 112.33 171.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -60.65 3.49 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.235 1.014 . . . . 0.0 109.666 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -51.31 -47.45 62.61 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.387 0.675 . . . . 0.0 110.326 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.5 mt -61.81 -51.05 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.055 0.542 . . . . 0.0 109.911 -177.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.31 -54.1 38.22 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -50.97 -55.76 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -53.28 -60.67 3.0 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.123 0.487 . . . . 0.0 111.193 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -71.34 -22.46 61.91 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.758 -168.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -61.52 -55.66 28.57 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 119.302 0.956 . . . . 0.0 109.091 168.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -63.26 -36.83 84.95 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 118.948 -0.548 . . . . 0.0 111.365 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.5 m -58.37 -59.15 5.79 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 119.23 0.923 . . . . 0.0 109.066 169.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.697 0 C-N-CA 125.739 1.638 . . . . 0.0 112.79 179.566 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 . . . . . 0 CA--C 1.539 0.54 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.9 p -149.31 138.96 21.74 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.005 1.322 . . . . 0.0 109.279 -172.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.2 mt -109.61 133.7 52.81 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 168.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.2 t -77.37 147.11 36.27 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 169.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -45.44 -45.48 12.92 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.29 1.436 . . . . 0.0 112.462 -171.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.66 -35.05 70.23 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.697 -0.627 . . . . 0.0 111.381 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.44 -41.97 92.89 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -56.05 -49.29 74.17 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 169.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -56.16 -40.35 73.73 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 120.879 -1.138 . . . . 0.0 110.744 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -59.58 -50.34 74.28 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.09 0.556 . . . . 0.0 110.516 175.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -46.87 -53.62 11.73 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.234 1.014 . . . . 0.0 109.635 173.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.2 mt -62.12 -52.02 65.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 O-C-N 121.788 -0.57 . . . . 0.0 110.796 -177.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -58.28 -39.78 80.16 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.892 -0.505 . . . . 0.0 111.546 -178.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -80.5 -46.3 16.07 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.716 0.689 . . . . 0.0 111.873 -176.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -82.05 -46.51 13.81 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.763 0.825 . . . . 0.0 112.595 -174.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.6 mp . . . . . 0 N--CA 1.464 0.244 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -176.726 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.225 -0.225 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.96 -48.39 70.35 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.469 0.652 . . . . 0.0 111.023 173.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -65.12 -40.41 94.44 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.0 mm -56.85 -49.66 78.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.337 0 CA-C-O 119.022 -0.513 . . . . 0.0 110.042 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.263 17.9 m -68.37 -32.44 55.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 119.108 0.867 . . . . 0.0 112.192 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -58.72 -51.48 69.8 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.206 0.912 . . . . 0.0 109.614 169.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -57.38 -42.4 82.06 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.811 0.844 . . . . 0.0 111.306 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.6 ttp -58.96 -50.5 73.81 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 124.823 1.249 . . . . 0.0 108.962 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -53.71 -50.49 65.8 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -54.91 -51.71 65.18 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.229 0.468 . . . . 0.0 110.946 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.1 mt -51.65 -61.05 2.49 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.622 0.769 . . . . 0.0 110.376 175.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.48 -25.42 61.42 Favored 'General case' 0 CA--C 1.528 0.105 0 O-C-N 121.505 -0.747 . . . . 0.0 112.999 -171.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.6 tpt85 -65.97 -14.46 61.65 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.073 0.949 . . . . 0.0 111.201 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -31.0 64.52 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.643 -0.661 . . . . 0.0 109.317 168.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -123.65 -127.29 0.25 Allowed 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 168.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -142.77 115.72 8.8 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 104.724 -2.324 . . . . 0.0 104.724 167.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 75.09 -36.31 0.31 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.954 1.302 . . . . 0.0 114.305 168.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -106.35 109.34 21.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.396 1.078 . . . . 0.0 109.194 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.06 111.02 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -77.6 150.64 34.64 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 121.418 -0.801 . . . . 0.0 109.261 175.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -39.94 -51.22 2.51 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.167 0.987 . . . . 0.0 113.114 176.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -62.46 -42.47 99.5 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.723 -0.611 . . . . 0.0 110.363 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -62.83 -44.52 95.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.967 0.907 . . . . 0.0 109.543 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -53.89 -53.63 49.94 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.426 0.691 . . . . 0.0 110.756 173.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.28 -48.85 83.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 119.026 0.83 . . . . 0.0 110.196 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.6 m -52.14 -50.58 61.46 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.355 0.598 . . . . 0.0 110.166 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.17 -45.87 92.85 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 122.619 0.368 . . . . 0.0 110.861 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.9 mt -57.64 -36.33 71.7 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.068 0.849 . . . . 0.0 110.421 175.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.7 -49.88 63.51 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 169.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.2 -44.63 92.23 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 117.733 0.766 . . . . 0.0 111.88 175.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 tp -56.1 -49.9 72.56 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.59 1.156 . . . . 0.0 109.282 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.98 -43.92 91.48 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.515 0.726 . . . . 0.0 110.845 176.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 14.3 tpt -60.09 -44.6 94.69 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.403 0.281 . . . . 0.0 110.648 177.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.2 mt -58.57 -40.12 77.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 123.285 0.634 . . . . 0.0 109.32 174.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -72.51 56.36 0.37 Allowed 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.748 -0.595 . . . . 0.0 112.24 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -41.47 -44.63 2.96 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 125.427 1.491 . . . . 0.0 112.113 172.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -54.22 -45.6 72.3 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.418 0.287 . . . . 0.0 110.693 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.44 97.61 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.573 0.349 . . . . 0.0 110.134 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.9 mt . . . . . 0 CA--C 1.53 0.198 0 CA-C-N 117.674 0.216 . . . . 0.0 110.717 175.859 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 CA--C 1.542 0.646 0 CA-C-O 117.73 -1.128 . . . . 0.0 114.001 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -58.11 -34.1 98.12 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 121.992 1.794 . . . . 0.0 113.403 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 58.9 tp -81.2 -46.19 15.21 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 119.12 0.873 . . . . 0.0 110.052 173.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -49.92 -47.26 52.41 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 124.156 0.982 . . . . 0.0 110.305 -176.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -58.06 -39.57 78.81 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.488 177.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.37 -53.98 16.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.908 -0.495 . . . . 0.0 110.411 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.6 pt -57.9 -43.58 84.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.39 -43.27 26.98 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 125.546 1.546 . . . . 0.0 112.268 171.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -60.05 4.49 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.079 0.952 . . . . 0.0 109.945 179.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -52.34 -45.71 65.78 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 123.407 0.683 . . . . 0.0 110.112 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 64.4 mt -60.1 -53.96 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 122.942 0.497 . . . . 0.0 110.102 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.63 -51.91 51.77 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 mt -49.59 -56.58 2.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -53.96 -56.93 13.25 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.276 0.56 . . . . 0.0 111.794 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -67.4 -26.09 66.27 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -169.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -59.01 -54.69 44.28 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 119.243 0.929 . . . . 0.0 109.614 169.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -68.41 -39.02 81.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 119.0 -0.524 . . . . 0.0 111.693 -175.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 83.7 p -65.89 -48.76 70.4 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 119.771 1.168 . . . . 0.0 109.214 173.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 C-N-CA 126.13 1.824 . . . . 0.0 112.446 171.209 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 110.656 -0.127 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 42.6 p -144.66 128.27 17.13 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.788 1.235 . . . . 0.0 109.628 -169.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 60.1 mt -107.56 130.14 54.91 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 169.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.1 t -78.69 178.78 7.59 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.651 0.66 . . . . 0.0 111.118 172.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -60.66 -67.48 0.39 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 125.405 1.482 . . . . 0.0 111.615 -169.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -66.54 -29.69 69.83 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.004 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -59.32 -48.41 81.74 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 173.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.25 -49.31 77.55 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -56.78 -40.26 75.55 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 119.247 -0.981 . . . . 0.0 110.811 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.57 -50.69 72.89 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.603 0.761 . . . . 0.0 110.099 175.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tt -47.2 -54.42 10.77 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.214 0.605 . . . . 0.0 109.744 172.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.4 mt -60.76 -55.55 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.664 -177.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -57.71 -39.34 76.99 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.396 0.998 . . . . 0.0 111.871 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -80.08 -41.15 26.16 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.707 -0.621 . . . . 0.0 111.551 -174.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -81.41 -56.84 3.78 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.207 0.527 . . . . 0.0 110.822 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 CA--C 1.532 0.277 0 C-N-CA 126.294 1.837 . . . . 0.0 107.685 -178.748 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 C--O 1.225 -0.185 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.3 -48.2 68.6 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.535 0.734 . . . . 0.0 111.103 175.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -64.74 -42.91 94.85 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 36.5 mm -58.3 -45.06 89.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.876 177.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 17.5 m -68.19 -35.96 73.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 120.104 1.32 . . . . 0.0 111.876 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -58.96 -51.36 70.37 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.292 0.951 . . . . 0.0 110.24 171.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.9 -44.66 74.35 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.799 0.84 . . . . 0.0 110.787 176.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 16.3 tmm? -62.39 -42.68 99.61 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.725 0.81 . . . . 0.0 109.936 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -56.6 -50.53 71.72 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 122.813 0.445 . . . . 0.0 109.965 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -54.6 -48.69 71.85 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.738 0.415 . . . . 0.0 111.266 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mt -55.86 -60.95 2.73 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.302 0.641 . . . . 0.0 110.517 174.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -65.54 -18.79 65.59 Favored 'General case' 0 C--O 1.227 -0.113 0 CA-C-O 118.247 -0.882 . . . . 0.0 113.016 -174.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 . . . . . 0 CA--C 1.53 0.2 0 C-N-CA 124.767 1.227 . . . . 0.0 111.495 177.557 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 10.1 p -101.9 119.55 50.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 125.193 1.397 . . . . 0.0 108.178 168.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -79.96 146.34 32.12 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -39.61 -55.82 1.79 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.953 1.701 . . . . 0.0 113.756 -173.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -59.81 -41.14 90.6 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.587 -0.696 . . . . 0.0 110.838 -175.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -69.94 -35.82 74.81 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.329 0.652 . . . . 0.0 109.965 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -56.46 -51.94 66.55 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.282 0.492 . . . . 0.0 110.424 169.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 30.8 mm -57.14 -49.38 79.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 118.468 0.576 . . . . 0.0 109.833 177.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 33.4 m -53.7 -47.55 70.41 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.016 0.436 . . . . 0.0 110.381 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -61.18 -43.48 98.81 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 121.489 -0.757 . . . . 0.0 110.654 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 80.0 mt -58.29 -34.27 70.35 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.204 0.911 . . . . 0.0 110.623 173.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.99 -42.89 98.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 121.698 -0.626 . . . . 0.0 111.87 168.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.95 -47.41 85.03 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.081 -1.247 . . . . 0.0 110.26 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.4 tp -54.83 -48.08 73.3 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.027 1.331 . . . . 0.0 109.71 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.94 77.66 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.931 0.893 . . . . 0.0 110.896 175.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 56.2 ttp -60.51 -40.88 93.01 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 122.233 -0.292 . . . . 0.0 111.134 178.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 68.0 mt -60.82 -41.54 89.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 124.085 0.954 . . . . 0.0 109.512 174.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -73.35 52.81 0.38 Allowed 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.673 0.669 . . . . 0.0 110.117 169.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -55.47 -33.43 63.65 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 124.882 1.273 . . . . 0.0 112.846 -168.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -47.9 -38.47 16.48 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.126 0.97 . . . . 0.0 111.475 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.98 -34.96 78.64 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.947 0.499 . . . . 0.0 111.67 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 29.9 mt -76.64 -50.94 12.54 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -56.42 -44.84 80.76 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.729 0.412 . . . . 0.0 111.432 -177.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.208 0 CA-C-O 117.435 -1.758 . . . . 0.0 111.234 -177.751 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.448 -0.526 0 CA-C-O 117.71 -1.138 . . . . 0.0 113.439 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -53.47 -50.45 13.82 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.839 2.359 . . . . 0.0 112.941 -175.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.7 tp -72.17 -45.23 61.28 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 119.419 -0.912 . . . . 0.0 109.671 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -52.89 -47.65 67.76 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 122.37 0.268 . . . . 0.0 111.124 -176.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -64.24 -39.52 94.12 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.073 -0.392 . . . . 0.0 110.896 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.85 -53.24 53.72 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.398 0.545 . . . . 0.0 111.509 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.6 pt -57.75 -47.32 86.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 175.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.51 -44.3 5.18 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.277 1.418 . . . . 0.0 112.81 171.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -61.05 2.7 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.421 1.089 . . . . 0.0 110.105 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mp -52.84 -47.84 67.47 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.644 0.777 . . . . 0.0 109.994 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.65 -48.09 88.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -176.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.29 -52.52 51.14 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 124.602 1.096 . . . . 0.0 110.418 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.4 mt -46.43 -54.84 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.16 0 C-N-CA 123.409 0.684 . . . . 0.0 109.397 174.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -58.25 -62.76 1.6 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -66.59 -26.33 67.05 Favored 'General case' 0 C--O 1.226 -0.135 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -169.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -59.28 -53.2 60.96 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 169.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -67.07 -41.18 86.85 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -178.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.3 m -55.83 -58.45 7.79 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 169.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.589 0 C-N-CA 126.368 1.937 . . . . 0.0 112.837 178.564 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 . . . . . 0 CA--C 1.536 0.422 0 CA-C-O 121.034 0.445 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.4 p -138.94 161.62 36.88 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.986 1.714 . . . . 0.0 107.902 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 tt -148.14 125.85 11.84 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -176.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.34 174.66 11.35 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -168.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -60.36 -66.96 0.44 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 122.423 1.106 . . . . 0.0 112.029 -171.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -71.63 -27.94 63.44 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.583 -0.698 . . . . 0.0 109.737 -176.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -58.28 -45.7 87.41 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 171.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.97 -48.27 82.59 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 174.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -55.61 -43.95 76.58 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 118.795 -1.162 . . . . 0.0 110.831 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -57.4 -48.09 79.99 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.073 0.949 . . . . 0.0 110.44 176.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 tt -47.87 -53.93 14.15 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 123.506 0.722 . . . . 0.0 109.717 172.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.9 mt -60.55 -50.21 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 O-C-N 121.42 -0.8 . . . . 0.0 111.122 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -61.08 -31.92 71.58 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.276 -0.89 . . . . 0.0 111.419 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.91 -54.69 8.04 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.609 0.641 . . . . 0.0 112.032 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -80.63 -47.12 14.56 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.569 0.747 . . . . 0.0 112.431 -172.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 N--CA 1.461 0.085 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -176.078 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t70 . . . . . 0 CA--C 1.529 0.138 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.08 -45.87 68.36 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.017 0.527 . . . . 0.0 111.159 176.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -63.23 -46.3 87.6 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.9 mm -55.78 -46.7 79.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.886 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.27 13.9 m -68.1 -37.44 78.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 119.954 1.252 . . . . 0.0 112.102 -176.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -60.81 -50.49 73.25 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.952 0.797 . . . . 0.0 110.084 171.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -53.7 -44.45 69.8 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.523 -0.736 . . . . 0.0 111.242 176.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -63.28 -46.43 86.85 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 125.129 1.372 . . . . 0.0 109.733 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -53.01 -51.46 61.6 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 170.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -62.76 -32.24 73.34 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.653 -0.655 . . . . 0.0 112.305 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mt -66.52 -65.04 0.73 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 170.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -61.66 -30.95 71.05 Favored 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -170.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.5 ttp85 -29.93 -52.99 0.15 Allowed 'General case' 0 C--N 1.342 0.251 0 C-N-CA 127.302 2.241 . . . . 0.0 110.56 174.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -27.3 -56.88 0.1 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 127.1 2.16 . . . . 0.0 114.326 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -137.04 54.83 1.85 Allowed 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 170.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 p30 39.14 -82.44 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.359 2.264 . . . . 0.0 114.562 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -52.99 -38.73 62.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.258 1.023 . . . . 0.0 112.251 176.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -140.62 152.89 45.78 Favored 'General case' 0 C--N 1.34 0.191 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -173.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.5 p -89.9 132.94 33.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 167.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.2 153.46 24.73 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 118.447 0.567 . . . . 0.0 110.003 173.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -44.78 -52.18 8.69 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.294 1.038 . . . . 0.0 113.687 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -55.58 -48.45 74.81 Favored 'General case' 0 C--O 1.232 0.183 0 O-C-N 121.731 -0.606 . . . . 0.0 110.059 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -73.07 -30.29 63.58 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.414 -173.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -55.86 -53.96 50.46 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 168.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 20.5 mm -58.45 -49.67 81.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 118.226 0.467 . . . . 0.0 109.983 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.2 m -52.02 -50.34 61.58 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.521 0.728 . . . . 0.0 110.238 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -62.71 -44.76 95.4 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.202 1.001 . . . . 0.0 110.388 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.7 mt -57.65 -36.4 71.83 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 118.941 0.791 . . . . 0.0 110.425 173.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.65 -50.91 58.27 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 169.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.73 -46.69 77.72 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 117.703 0.752 . . . . 0.0 111.413 176.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.4 tp -57.12 -49.17 76.73 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.216 1.006 . . . . 0.0 109.846 177.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.05 -37.0 81.07 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.197 0.999 . . . . 0.0 110.514 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 32.8 ttp -70.12 -41.28 74.16 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.473 0.709 . . . . 0.0 111.177 176.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.9 mt -58.08 -37.7 63.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 173.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -72.19 60.13 0.41 Allowed 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.345 0.593 . . . . 0.0 111.663 169.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -48.36 -39.2 21.37 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.763 1.225 . . . . 0.0 111.536 171.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -50.0 -50.73 46.16 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.585 0.354 . . . . 0.0 110.271 173.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.92 -47.46 83.15 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 41.5 mt . . . . . 0 CA--C 1.532 0.251 0 CA-C-N 117.676 0.217 . . . . 0.0 111.266 176.899 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -56.58 -42.05 69.46 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.778 2.319 . . . . 0.0 113.39 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.6 tp -80.48 -44.46 19.14 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -49.11 -46.49 44.97 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 123.705 0.802 . . . . 0.0 110.688 -177.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -63.44 -34.26 77.37 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.816 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.78 -50.14 21.99 Favored 'General case' 0 CA--C 1.53 0.173 0 O-C-N 121.581 -0.699 . . . . 0.0 111.265 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 44.1 pt -59.22 -40.2 80.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 119.485 -0.886 . . . . 0.0 109.201 172.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.2 -42.16 48.47 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.207 1.385 . . . . 0.0 112.206 170.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.03 -60.9 2.82 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 118.34 1.07 . . . . 0.0 109.678 178.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 12.2 mt -46.05 -50.71 14.83 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.186 0.994 . . . . 0.0 110.665 175.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mm -56.69 -55.78 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.104 0.961 . . . . 0.0 109.887 178.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.51 -50.25 61.12 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 124.693 1.14 . . . . 0.0 110.351 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.6 mt -55.06 -58.32 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -52.23 -58.13 7.57 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.578 0.228 . . . . 0.0 110.887 -175.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -66.98 -27.03 67.11 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 118.193 -0.908 . . . . 0.0 112.842 -174.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -55.62 -51.2 68.0 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.798 1.181 . . . . 0.0 108.597 169.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -67.95 -42.88 80.26 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.905 -0.569 . . . . 0.0 111.554 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.0 m -54.54 -51.54 64.87 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 119.167 0.894 . . . . 0.0 110.487 173.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 C-N-CA 124.45 1.024 . . . . 0.0 113.098 -176.691 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 . . . . . 0 CA--C 1.535 0.381 0 CA-C-O 121.102 0.477 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 18.5 p -139.46 152.52 47.08 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.993 1.717 . . . . 0.0 109.255 -171.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.18 129.39 39.71 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 125.332 1.453 . . . . 0.0 108.606 172.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 7.7 m -78.53 151.42 32.51 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 119.171 0.896 . . . . 0.0 109.636 174.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 pptp? -49.23 -46.64 46.18 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.896 1.278 . . . . 0.0 113.981 -168.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -26.62 51.72 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.627 -0.671 . . . . 0.0 110.65 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.18 -41.81 89.74 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 172.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -56.67 -49.12 75.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 169.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -54.96 -42.98 73.04 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 119.058 -1.057 . . . . 0.0 110.823 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -56.77 -49.71 74.46 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.036 0.534 . . . . 0.0 110.85 174.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 tt -49.16 -52.54 25.85 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 124.18 0.992 . . . . 0.0 109.876 175.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 65.7 mt -60.58 -55.11 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -51.62 -41.44 61.27 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 117.971 0.35 . . . . 0.0 111.705 -175.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -80.85 -53.58 6.35 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.259 0.481 . . . . 0.0 112.255 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -81.26 -28.37 34.78 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -168.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 CA--C 1.533 0.321 0 C-N-CA 126.581 1.952 . . . . 0.0 107.764 178.531 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.79 -48.89 69.36 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.333 0.587 . . . . 0.0 110.946 170.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.87 -41.44 99.39 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 37.4 mm -55.11 -47.76 76.87 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.247 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.984 174.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.286 12.1 m -67.24 -37.03 78.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 120.049 1.295 . . . . 0.0 112.526 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -58.12 -51.44 69.71 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.065 0.848 . . . . 0.0 110.297 171.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.7 -44.91 73.83 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.996 1.318 . . . . 0.0 110.908 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.3 tmm? -60.24 -45.81 91.97 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.469 1.108 . . . . 0.0 109.655 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -55.76 -49.84 72.03 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.008 0.367 . . . . 0.0 110.204 173.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -57.74 -45.44 85.84 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.728 0.411 . . . . 0.0 111.351 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 mt -57.6 -58.67 7.28 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.372 0.669 . . . . 0.0 110.052 173.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.97 -17.48 60.53 Favored 'General case' 0 N--CA 1.462 0.148 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -169.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.173 0 C-N-CA 123.995 0.918 . . . . 0.0 109.779 173.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 . . . . . 0 CA--C 1.536 0.441 0 CA-C-O 121.357 0.598 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 t -99.05 115.55 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 127.231 2.212 . . . . 0.0 106.557 171.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -79.87 146.11 32.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 119.229 0.922 . . . . 0.0 109.326 170.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -39.85 -51.37 2.43 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.665 1.186 . . . . 0.0 113.521 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -55.48 -44.12 76.18 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.638 -0.664 . . . . 0.0 111.042 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -76.65 -32.46 58.0 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.802 0.441 . . . . 0.0 111.012 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -54.34 -52.67 60.83 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 168.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.1 mm -58.57 -52.86 54.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 O-C-N 122.055 -0.403 . . . . 0.0 110.682 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 32.2 m -50.99 -48.99 61.15 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.326 0.584 . . . . 0.0 110.719 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -63.56 -44.48 94.0 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.303 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 78.0 mt -56.64 -36.46 69.52 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.084 0.856 . . . . 0.0 110.337 173.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.45 -51.08 58.58 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 169.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.4 -42.39 82.16 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 117.924 0.862 . . . . 0.0 111.645 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.5 tp -58.64 -48.61 80.43 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.438 1.095 . . . . 0.0 109.438 177.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.79 -44.2 81.66 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.889 0.476 . . . . 0.0 110.416 173.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 33.7 ttp -61.82 -40.34 94.94 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.855 0.462 . . . . 0.0 111.352 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 86.5 mt -59.39 -44.41 92.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 171.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -71.98 60.05 0.38 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.981 0.912 . . . . 0.0 112.335 175.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -42.26 -41.97 2.94 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 127.054 2.142 . . . . 0.0 111.62 170.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -52.88 -50.82 63.07 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.269 1.028 . . . . 0.0 110.028 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.12 -43.86 94.02 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.874 0.469 . . . . 0.0 110.005 177.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 60.5 mt -50.47 -51.77 44.14 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 117.911 0.323 . . . . 0.0 110.683 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.93 -45.39 74.44 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 110.544 -0.169 . . . . 0.0 110.544 178.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.067 -1.963 . . . . 0.0 110.922 176.042 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.449 -0.5 0 CA-C-O 118.593 -0.717 . . . . 0.0 112.797 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -59.66 -34.72 96.29 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 121.908 1.739 . . . . 0.0 113.814 -177.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.9 tp -81.91 -46.19 14.4 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 171.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -50.34 -45.62 55.13 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 123.427 0.691 . . . . 0.0 110.885 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -55.84 -42.65 76.1 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 120.605 0.24 . . . . 0.0 111.254 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.49 -52.0 25.05 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.986 -0.446 . . . . 0.0 110.233 -173.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.0 pt -57.54 -43.24 82.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 119.715 -0.794 . . . . 0.0 109.074 173.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.52 -45.1 17.07 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 125.177 1.37 . . . . 0.0 112.052 171.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.48 -60.64 3.35 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.882 0.873 . . . . 0.0 110.592 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mp -51.47 -49.61 61.45 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.667 0.787 . . . . 0.0 109.599 177.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.1 mt -57.94 -50.7 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.571 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.36 -55.19 31.76 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.0 mt -46.94 -52.77 3.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.342 0.657 . . . . 0.0 109.288 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -60.89 -55.84 28.18 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.383 0.611 . . . . 0.0 111.919 -177.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -68.44 -29.57 68.26 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.927 -0.559 . . . . 0.0 111.513 -170.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -57.66 -53.98 52.01 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.839 0.745 . . . . 0.0 109.965 170.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -65.4 -36.89 85.31 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 122.092 -0.38 . . . . 0.0 111.89 -177.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.9 m -59.06 -52.94 63.59 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.156 0.503 . . . . 0.0 109.77 172.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.577 0 C-N-CA 124.849 1.214 . . . . 0.0 111.428 -179.613 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.876 0.37 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.3 m -155.34 150.3 26.67 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -149.69 155.93 41.03 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.816 0.735 . . . . 0.0 110.932 173.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.2 t -78.05 154.68 31.18 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 124.171 0.988 . . . . 0.0 111.695 -168.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -49.8 -49.29 49.19 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.929 0.892 . . . . 0.0 113.065 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -70.44 -32.52 70.13 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.029 -1.044 . . . . 0.0 110.54 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.65 -40.52 97.05 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 174.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.14 -48.98 78.56 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.326 0.65 . . . . 0.0 109.545 171.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -52.36 -48.63 65.43 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.107 173.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -58.21 -35.63 71.95 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.071 0.548 . . . . 0.0 112.048 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.84 -58.97 6.24 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.029 0.932 . . . . 0.0 109.407 170.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.8 mt -54.68 -52.21 43.71 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-O 119.111 -0.471 . . . . 0.0 110.611 -176.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -58.87 -31.01 68.17 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 119.05 0.841 . . . . 0.0 112.073 -175.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -80.45 -43.36 21.05 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 119.16 0.891 . . . . 0.0 112.033 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -75.39 -67.0 0.7 Allowed 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 122.373 1.083 . . . . 0.0 109.138 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--N 1.326 -0.443 0 C-N-CA 124.866 1.266 . . . . 0.0 107.625 -179.578 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.1 t70 . . . . . 0 N--CA 1.466 0.359 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.01 -47.6 61.6 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.173 0.589 . . . . 0.0 111.092 174.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -65.59 -41.17 93.15 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.5 mm -55.1 -46.5 77.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.043 174.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.263 13.6 m -71.38 -32.7 47.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 120.474 1.488 . . . . 0.0 112.86 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -59.27 -51.26 70.74 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.513 1.051 . . . . 0.0 109.714 169.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.12 -42.46 80.92 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.146 0.978 . . . . 0.0 110.952 176.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 62.0 ttp -58.26 -49.89 75.51 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.517 1.127 . . . . 0.0 108.755 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -53.1 -50.13 65.06 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 175.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -58.93 -42.06 88.85 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.913 -0.492 . . . . 0.0 112.032 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 mt -64.45 -52.77 56.33 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.413 0.685 . . . . 0.0 111.161 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -71.91 -30.67 65.6 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.073 0.549 . . . . 0.0 112.223 -173.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -49.18 -42.02 38.59 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 123.776 0.83 . . . . 0.0 110.673 -173.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -53.08 -27.24 19.28 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.542 1.137 . . . . 0.0 112.582 -177.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -141.85 51.28 1.53 Allowed 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 167.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 p30 42.88 -89.93 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.07 2.148 . . . . 0.0 114.847 176.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -70.32 -25.56 63.37 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.375 1.47 . . . . 0.0 111.699 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -136.51 156.32 48.75 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.636 0.774 . . . . 0.0 110.726 -168.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.5 p -100.34 126.02 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 170.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -82.19 147.03 29.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 173.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -43.02 -51.78 5.55 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.693 1.197 . . . . 0.0 113.455 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -58.91 -40.11 83.53 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.506 -0.747 . . . . 0.0 110.46 -178.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -73.92 -37.08 64.72 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 123.736 0.815 . . . . 0.0 109.595 -176.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -55.13 -54.63 40.81 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.36 0.664 . . . . 0.0 109.919 169.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.8 mm -55.8 -54.76 22.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.9 m -49.64 -49.9 45.25 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 123.472 0.709 . . . . 0.0 111.047 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -64.85 -42.44 94.9 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 118.983 -0.532 . . . . 0.0 110.73 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.4 mt -57.3 -36.7 71.41 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.757 1.162 . . . . 0.0 110.074 172.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.09 -50.38 64.78 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 169.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.67 -47.71 73.27 Favored 'General case' 0 C--O 1.224 -0.256 0 O-C-N 121.97 -0.723 . . . . 0.0 110.897 175.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.4 tp -57.47 -47.62 81.39 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.941 1.297 . . . . 0.0 109.773 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.96 -44.48 87.07 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.668 0.787 . . . . 0.0 110.701 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.1 ttp -61.6 -47.66 84.47 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.9 mt -60.58 -33.82 56.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 125.04 1.336 . . . . 0.0 111.026 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -50.88 -36.91 40.49 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.017 0.826 . . . . 0.0 110.752 171.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 65.76 -67.25 0.14 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 127.655 2.382 . . . . 0.0 111.264 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -54.72 -35.08 63.29 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.079 1.352 . . . . 0.0 110.932 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.67 -35.97 69.02 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.823 0.449 . . . . 0.0 112.178 175.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 175.163 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -54.22 -44.23 51.29 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.163 2.576 . . . . 0.0 112.998 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 56.0 tp -74.43 -49.56 21.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 119.422 -0.911 . . . . 0.0 109.281 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -53.9 -43.86 70.05 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 119.537 -0.268 . . . . 0.0 111.272 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -63.94 -37.89 89.06 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.45 0.568 . . . . 0.0 111.634 176.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.48 -53.89 36.12 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.791 -0.568 . . . . 0.0 110.632 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 26.8 pt -57.44 -42.15 80.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 174.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.94 -45.77 9.26 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 125.226 1.393 . . . . 0.0 112.678 169.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.89 -59.83 4.64 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.096 0.958 . . . . 0.0 109.715 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -53.18 -46.26 68.87 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.601 0.76 . . . . 0.0 110.294 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 57.1 mt -59.59 -52.87 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.772 0.829 . . . . 0.0 109.761 -178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.71 -55.37 30.35 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 mt -50.18 -48.54 24.07 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -62.83 -65.73 0.64 Allowed 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.42 0.628 . . . . 0.0 111.71 -178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.85 -24.63 65.28 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -166.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -60.48 -46.07 91.42 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.196 0.907 . . . . 0.0 109.895 169.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -67.68 -44.63 77.35 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.942 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 35.0 m -49.36 -46.18 46.77 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 119.208 0.913 . . . . 0.0 110.347 170.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 C-N-CA 125.633 1.587 . . . . 0.0 113.891 177.282 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 . . . . . 0 CA--C 1.539 0.521 0 CA-C-O 121.736 0.779 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 4.4 t -157.77 158.07 34.58 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 127.423 2.289 . . . . 0.0 105.758 -177.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 tt -148.6 129.33 14.17 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -168.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 7.9 p -78.72 166.44 22.48 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.93 0.786 . . . . 0.0 112.702 -169.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -60.64 -57.87 10.88 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -169.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -69.51 -33.08 72.31 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.318 -0.864 . . . . 0.0 110.001 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -59.02 -45.15 91.43 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.835 0.854 . . . . 0.0 109.792 174.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.94 -49.71 75.84 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.522 0.729 . . . . 0.0 109.115 170.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -52.71 -42.94 65.31 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.281 -0.887 . . . . 0.0 110.712 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -65.55 -39.42 91.69 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.256 1.422 . . . . 0.0 111.793 177.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tt -53.6 -53.49 51.0 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 169.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 52.9 mt -58.67 -52.98 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-O 118.929 -0.557 . . . . 0.0 109.71 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -56.94 -37.99 72.29 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.867 0.758 . . . . 0.0 111.448 -174.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -75.85 -59.85 2.58 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.088 176.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -74.49 -52.06 13.02 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.007 0.432 . . . . 0.0 111.2 -168.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--N 1.33 -0.253 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 179.338 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 t70 . . . . . 0 C--O 1.227 -0.128 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.38 -45.81 62.6 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.129 0.571 . . . . 0.0 111.137 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -65.11 -44.72 87.85 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 36.6 mm -55.78 -47.31 79.61 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 CA-C-O 118.734 -0.651 . . . . 0.0 110.469 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.263 17.4 m -72.74 -31.47 36.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 119.423 1.011 . . . . 0.0 112.728 -177.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -61.05 -50.76 72.02 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.732 1.151 . . . . 0.0 109.402 169.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 tt -54.18 -45.26 72.07 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.416 0.686 . . . . 0.0 111.029 175.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 60.3 ttp -57.57 -53.12 61.74 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 124.6 1.16 . . . . 0.0 108.848 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.02 -51.96 37.9 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 123.516 0.726 . . . . 0.0 110.117 175.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -58.31 -45.44 88.03 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 122.028 -0.42 . . . . 0.0 111.721 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.3 mt -57.96 -66.06 0.54 Allowed 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 172.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.04 -17.75 63.94 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -168.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 31.4 ttp-105 . . . . . 0 N--CA 1.454 -0.259 0 CA-C-N 118.283 0.492 . . . . 0.0 110.287 173.077 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.777 0.322 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 7.8 p -98.19 126.18 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 168.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -81.39 144.23 31.58 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -46.07 -60.96 1.97 Allowed 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -169.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -52.24 -42.16 63.38 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.238 0.542 . . . . 0.0 110.577 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -70.99 -34.57 71.51 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.595 0.758 . . . . 0.0 110.522 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.12 -47.36 83.53 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 169.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.5 mm -57.88 -51.93 64.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 85.9 m -49.15 -49.02 44.3 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 121.612 -0.68 . . . . 0.0 111.468 174.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.71 -45.21 92.83 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 119.441 -0.314 . . . . 0.0 110.322 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 78.6 mt -58.59 -35.37 72.32 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.914 0.779 . . . . 0.0 110.935 173.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.44 -50.6 63.65 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 169.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.39 -41.15 79.71 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.796 -0.826 . . . . 0.0 110.777 174.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.0 tp -61.62 -44.98 95.97 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.816 0.846 . . . . 0.0 110.059 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.55 -50.75 67.16 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.584 0.753 . . . . 0.0 110.114 172.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 10.6 tpt -55.88 -45.88 78.45 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 60.6 mt -64.83 -45.36 95.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 C-N-CA 124.414 1.085 . . . . 0.0 110.403 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -53.83 -41.99 67.99 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.28 0.491 . . . . 0.0 109.85 175.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 9.7 t30 71.21 -60.47 0.51 Allowed 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 125.675 1.59 . . . . 0.0 113.295 168.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -50.1 -44.23 51.95 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.604 0.762 . . . . 0.0 109.86 176.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.23 -43.25 10.18 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.516 1.126 . . . . 0.0 112.208 173.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 26.2 mt -61.91 -40.41 95.37 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 123.617 0.767 . . . . 0.0 110.481 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -71.88 -42.88 66.28 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.415 -1.769 . . . . 0.0 110.325 174.566 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.415 0 CA-C-O 117.504 -1.236 . . . . 0.0 111.54 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -39.62 -53.96 2.1 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 124.34 3.36 . . . . 0.0 115.206 172.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.9 tp -68.1 -50.27 55.99 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 117.956 -1.498 . . . . 0.0 110.493 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -51.48 -47.24 63.26 Favored 'General case' 0 CA--C 1.527 0.071 0 C-N-CA 123.64 0.776 . . . . 0.0 110.917 -176.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -64.89 -38.6 91.5 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 122.05 -0.406 . . . . 0.0 111.067 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.43 -54.45 36.35 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.753 -0.592 . . . . 0.0 111.234 178.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.4 pt -57.8 -42.92 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.11 -47.06 8.16 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 125.339 1.447 . . . . 0.0 112.36 169.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.59 -58.53 7.64 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.302 1.041 . . . . 0.0 109.833 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -53.77 -46.77 71.07 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 123.352 0.661 . . . . 0.0 110.189 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.6 mt -63.2 -48.82 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 122.855 0.462 . . . . 0.0 109.774 -176.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.8 -51.72 57.41 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.4 mt -51.33 -49.99 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 117.148 0.474 . . . . 0.0 109.782 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -58.04 -61.16 2.75 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.136 0.493 . . . . 0.0 110.522 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -65.91 -29.85 70.34 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -169.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -53.7 -44.18 69.57 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 171.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -78.61 -39.67 36.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 118.569 -0.729 . . . . 0.0 111.505 179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 m -52.55 -33.92 47.79 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.593 1.088 . . . . 0.0 111.577 169.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.196 0 C-N-CA 124.14 0.876 . . . . 0.0 112.43 171.356 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 . . . . . 0 CA--C 1.536 0.41 0 CA-C-O 122.115 0.96 . . . . 0.0 112.796 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 p -145.19 163.53 34.11 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 127.552 2.341 . . . . 0.0 106.637 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 tt -147.04 124.58 11.72 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -178.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.2 t -79.69 179.21 7.64 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -172.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -67.9 -69.98 0.29 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.318 1.047 . . . . 0.0 110.948 -169.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -62.96 -33.32 75.12 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.479 -0.763 . . . . 0.0 109.797 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -54.73 -47.73 73.42 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.796 0.839 . . . . 0.0 110.183 173.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.42 -52.97 63.39 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.15 0.58 . . . . 0.0 110.355 175.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.2 ptmm? -62.0 -31.03 71.37 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 117.214 -1.794 . . . . 0.0 111.254 -177.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.07 -51.6 68.95 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.864 0.466 . . . . 0.0 110.133 170.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -46.07 -55.31 7.11 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.662 0.785 . . . . 0.0 109.198 173.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.8 mt -59.32 -46.89 92.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 122.583 0.353 . . . . 0.0 111.397 -177.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -60.8 -40.1 91.42 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.612 -0.68 . . . . 0.0 111.53 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -69.47 -53.02 21.27 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.141 0.882 . . . . 0.0 111.685 176.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -80.62 -45.32 17.48 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -168.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.0 mt . . . . . 0 CA--C 1.528 0.131 0 C-N-CA 123.272 0.629 . . . . 0.0 110.779 -177.829 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 t70 . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.18 -47.54 54.49 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.325 0.65 . . . . 0.0 111.221 173.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -64.94 -41.87 95.13 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.4 mm -56.22 -48.64 79.11 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-O 118.944 -0.551 . . . . 0.0 110.401 175.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.3 m -70.04 -33.0 53.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 119.588 1.086 . . . . 0.0 112.143 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -59.52 -52.18 66.69 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.014 0.824 . . . . 0.0 109.964 170.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tt -55.11 -45.5 75.49 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.034 0.934 . . . . 0.0 110.849 176.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.8 ttp -56.15 -53.01 62.26 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.674 1.19 . . . . 0.0 108.763 177.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -51.65 -50.61 60.0 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -61.5 -29.65 70.12 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -178.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mt -71.33 -59.9 2.52 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.487 0.715 . . . . 0.0 110.578 171.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -65.27 -34.09 77.52 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.523 -0.736 . . . . 0.0 112.838 -173.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.3 ttp85 -44.22 -44.73 8.07 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 125.821 1.648 . . . . 0.0 111.047 -176.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -52.95 -31.14 38.71 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.725 0.81 . . . . 0.0 112.334 -175.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -135.28 50.4 2.14 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 168.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.2 p30 45.89 -85.47 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 127.407 2.283 . . . . 0.0 114.392 176.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -76.34 -36.98 57.95 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.045 0.938 . . . . 0.0 111.452 -170.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -128.33 154.06 46.35 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 124.452 1.101 . . . . 0.0 108.949 -176.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 p -90.95 130.29 40.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 166.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -82.56 150.82 26.7 Favored 'General case' 0 N--CA 1.458 -0.052 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -39.79 -55.19 2.0 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.854 1.262 . . . . 0.0 113.771 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -61.9 -41.66 98.17 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 121.183 -0.948 . . . . 0.0 110.689 -177.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -66.69 -36.65 83.0 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 122.318 -0.239 . . . . 0.0 110.65 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.72 -50.64 72.54 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.803 0.441 . . . . 0.0 110.233 170.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.6 mm -57.09 -53.22 46.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-N 118.64 0.654 . . . . 0.0 110.124 177.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.6 m -51.13 -48.12 61.86 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.749 -0.595 . . . . 0.0 111.296 176.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -60.59 -45.42 94.03 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.236 -0.29 . . . . 0.0 110.435 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.0 mt -58.41 -35.41 72.01 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.81 0.732 . . . . 0.0 110.576 174.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.1 -51.84 54.99 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 169.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.58 -46.31 77.27 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.732 -0.863 . . . . 0.0 110.844 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.5 tp -57.89 -45.49 86.34 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.279 1.031 . . . . 0.0 110.409 178.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.9 -45.49 78.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 121.979 -0.451 . . . . 0.0 110.011 172.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.1 ttp -60.11 -39.58 86.69 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 119.165 -0.445 . . . . 0.0 111.581 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 34.6 mm -55.22 -48.83 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 119.18 0.9 . . . . 0.0 108.743 169.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -71.92 39.44 0.07 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.397 1.079 . . . . 0.0 112.721 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -35.72 -42.68 0.26 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 128.329 2.652 . . . . 0.0 113.991 177.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -49.46 -41.43 40.28 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.413 0.685 . . . . 0.0 112.107 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.24 77.34 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.455 0.702 . . . . 0.0 111.655 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 N--CA 1.452 -0.348 0 C-N-CA 123.568 0.747 . . . . 0.0 109.244 -174.858 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.99 -46.47 13.12 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.992 1.795 . . . . 0.0 112.76 -174.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 42.3 tp -77.82 -44.98 25.72 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -50.66 -47.65 58.57 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.891 0.876 . . . . 0.0 110.767 -177.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -62.24 -39.04 91.52 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.145 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.1 -52.21 37.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.092 -0.38 . . . . 0.0 110.98 -177.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 37.1 pt -57.55 -47.19 85.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 174.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.49 -46.37 5.64 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.931 1.253 . . . . 0.0 112.219 171.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.91 -59.38 4.82 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.061 0.945 . . . . 0.0 110.541 177.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mp -54.23 -46.22 72.49 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.397 0.679 . . . . 0.0 110.625 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.98 -48.31 89.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -176.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.78 -56.64 24.07 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mt -49.43 -44.53 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 123.686 0.795 . . . . 0.0 110.869 177.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -62.08 -62.5 1.74 Allowed 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.2 0.524 . . . . 0.0 111.064 177.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -67.29 -28.75 68.28 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 122.065 -0.397 . . . . 0.0 112.006 -169.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -49.36 -45.79 46.21 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 124.914 1.286 . . . . 0.0 109.263 168.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -76.98 -54.08 7.01 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.689 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.4 m -46.36 -48.27 18.5 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.722 1.146 . . . . 0.0 111.948 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 C-N-CA 124.452 1.025 . . . . 0.0 113.108 178.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 . . . . . 0 CA--C 1.537 0.474 0 CA-C-O 121.629 0.728 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.74 158.04 43.82 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 127.204 2.201 . . . . 0.0 107.556 -169.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 89.2 mt -135.27 136.69 41.87 Favored 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 170.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.0 m -78.3 154.1 31.18 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 170.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -61.42 -42.15 98.3 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 120.891 -1.13 . . . . 0.0 113.622 -169.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -68.79 -39.3 80.23 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.019 -1.051 . . . . 0.0 111.093 178.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -56.39 -48.12 77.56 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.83 -44.41 77.91 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.773 0.829 . . . . 0.0 110.049 172.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 67.5 tttt -53.65 -46.96 70.74 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 120.635 -1.291 . . . . 0.0 109.876 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.82 -36.85 82.37 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.544 0.738 . . . . 0.0 111.701 177.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.8 -56.71 17.28 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 169.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 51.9 mt -57.22 -47.57 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 119.235 -0.412 . . . . 0.0 110.521 -176.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -57.56 -39.07 75.86 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.602 0.637 . . . . 0.0 111.296 -174.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -81.36 -56.2 4.21 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.203 0.525 . . . . 0.0 111.277 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -80.48 -26.0 38.49 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.469 1.508 . . . . 0.0 114.132 -167.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 59.7 mt . . . . . 0 C--N 1.331 -0.23 0 N-CA-C 105.104 -2.184 . . . . 0.0 105.104 168.55 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 . . . . . 0 N--CA 1.456 -0.148 0 N-CA-C 110.762 -0.088 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.34 -46.54 62.69 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.034 0.933 . . . . 0.0 111.041 175.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -66.54 -43.55 84.82 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 41.4 mm -55.19 -49.07 75.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 118.654 -0.688 . . . . 0.0 110.197 174.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.276 16.7 m -70.4 -33.2 52.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 120.024 1.284 . . . . 0.0 112.945 -177.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -57.76 -50.55 72.88 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.386 0.994 . . . . 0.0 109.144 169.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tt -56.6 -42.05 78.08 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.812 -0.555 . . . . 0.0 111.277 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 60.9 mtp -58.94 -48.5 81.27 Favored 'General case' 0 C--O 1.221 -0.432 0 O-C-N 121.48 -0.763 . . . . 0.0 110.067 175.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -52.83 -50.57 63.45 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 175.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -57.39 -43.04 83.34 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 122.82 0.448 . . . . 0.0 112.043 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.32 -57.29 10.85 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.564 0.62 . . . . 0.0 110.749 173.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.39 -9.84 51.04 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.688 1.195 . . . . 0.0 113.038 -172.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 21.4 mmt-85 . . . . . 0 N--CA 1.467 0.387 0 C-N-CA 124.184 0.994 . . . . 0.0 110.169 166.236 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 . . . . . 0 C--O 1.233 0.207 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 t -101.85 145.85 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 128.091 2.556 . . . . 0.0 106.848 172.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -111.35 146.35 37.26 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.812 0.845 . . . . 0.0 108.79 171.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -39.83 -57.04 1.65 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.631 1.572 . . . . 0.0 114.374 -171.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -57.78 -39.3 77.16 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.313 -0.867 . . . . 0.0 111.333 -178.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -74.7 -35.48 62.72 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.418 0.687 . . . . 0.0 109.246 -177.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -55.96 -52.9 62.54 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 169.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 25.1 mm -55.94 -52.49 48.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 89.2 m -52.96 -46.34 68.15 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.745 0.418 . . . . 0.0 111.283 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -62.96 -43.85 97.65 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 121.962 -0.461 . . . . 0.0 110.501 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 73.7 mt -57.03 -32.04 65.76 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.211 0.914 . . . . 0.0 110.362 172.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.98 -51.69 57.78 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 168.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.48 -46.9 73.49 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.202 -1.175 . . . . 0.0 111.149 174.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 6.9 tp -58.42 -43.18 88.57 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.282 -0.886 . . . . 0.0 110.235 177.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.55 -35.4 72.27 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 121.688 -0.632 . . . . 0.0 111.199 172.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 90.0 mtp -66.03 -41.28 91.11 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.89 0.768 . . . . 0.0 111.602 170.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 45.1 mm -55.1 -39.27 49.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 118.518 0.599 . . . . 0.0 109.734 171.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -72.4 57.96 0.39 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 122.424 1.107 . . . . 0.0 109.853 170.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -47.6 -35.8 9.79 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 127.345 2.258 . . . . 0.0 111.473 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.8 mp0 -57.84 -45.64 85.94 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.448 0.699 . . . . 0.0 109.652 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.57 -41.26 79.97 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 122.976 0.511 . . . . 0.0 109.989 177.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 37.1 mt -53.09 -47.53 68.49 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.749 0.704 . . . . 0.0 110.996 173.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -64.12 -45.4 88.73 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.844 -1.531 . . . . 0.0 111.64 175.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -60.57 -33.92 93.07 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.223 1.948 . . . . 0.0 113.6 -176.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.0 tp -81.8 -45.86 14.99 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 172.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -50.11 -46.92 54.12 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 124.091 0.956 . . . . 0.0 110.778 -175.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -55.02 -42.43 72.58 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.614 0.245 . . . . 0.0 111.441 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.43 -52.78 19.8 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.929 -0.482 . . . . 0.0 110.332 -173.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.8 pt -57.35 -42.31 80.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.86 -46.95 19.46 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 125.329 1.442 . . . . 0.0 112.162 171.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.67 -60.2 3.78 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.878 0.871 . . . . 0.0 110.259 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mp -53.26 -45.2 68.71 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.644 0.777 . . . . 0.0 110.299 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.2 mt -63.5 -48.35 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 122.705 0.402 . . . . 0.0 110.186 -177.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.72 -52.71 51.52 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.6 mt -50.86 -53.18 14.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -56.71 -57.69 11.33 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.257 0.551 . . . . 0.0 111.649 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -78.38 -16.83 57.25 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -168.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -56.9 -54.83 42.1 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 168.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -70.9 -42.24 70.2 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.742 -178.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m -65.27 -32.55 74.28 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.386 -0.821 . . . . 0.0 110.953 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.785 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 170.706 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.6 t -155.71 140.46 17.09 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 105.176 -2.157 . . . . 0.0 105.176 -176.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.3 mt -98.65 129.54 45.14 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -178.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.6 t -78.35 172.82 13.05 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.36 0.6 . . . . 0.0 109.514 171.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -56.99 -63.12 1.31 Allowed 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 125.057 1.343 . . . . 0.0 112.179 -168.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -37.6 85.73 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -178.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -61.42 -45.83 92.67 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.594 -0.692 . . . . 0.0 110.686 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -57.66 -50.75 72.15 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -49.6 -47.36 49.58 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.794 -0.566 . . . . 0.0 110.329 175.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -58.28 -49.47 77.03 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.836 0.854 . . . . 0.0 110.707 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 tt -49.38 -51.34 35.5 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.444 0.698 . . . . 0.0 109.425 173.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.7 mt -63.77 -45.06 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-O 118.631 -0.7 . . . . 0.0 111.777 -178.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -56.71 -40.92 76.5 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.937 1.244 . . . . 0.0 110.595 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -50.34 42.68 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.734 -0.604 . . . . 0.0 111.274 176.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -66.74 -59.28 3.71 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.564 1.146 . . . . 0.0 110.67 -173.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.2 mt . . . . . 0 N--CA 1.453 -0.315 0 C-N-CA 126.94 2.096 . . . . 0.0 107.826 -176.624 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 . . . . . 0 C--O 1.226 -0.156 0 CA-C-O 118.793 -0.623 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.47 -50.96 64.21 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.472 0.578 . . . . 0.0 111.201 171.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -61.1 -44.17 97.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.9 mm -57.88 -45.83 87.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 118.597 -0.716 . . . . 0.0 111.007 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.1 m -68.25 -34.85 68.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 120.161 1.346 . . . . 0.0 111.482 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -58.66 -52.25 66.49 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.086 0.857 . . . . 0.0 110.045 171.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.42 -43.99 75.83 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.53 0.732 . . . . 0.0 110.821 176.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -58.84 -43.4 90.72 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.63 0.772 . . . . 0.0 109.926 176.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.03 -47.63 85.06 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 175.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -54.45 -47.58 72.74 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.793 -0.567 . . . . 0.0 111.098 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mt -56.12 -57.2 13.19 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.504 0.721 . . . . 0.0 110.632 174.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.7 p30 -66.7 -27.35 67.57 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 121.156 -0.965 . . . . 0.0 112.98 -172.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -45.45 -41.59 9.57 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.527 1.131 . . . . 0.0 111.609 -177.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -36.79 -40.5 0.27 Allowed 'General case' 0 C--N 1.344 0.352 0 C-N-CA 125.391 1.476 . . . . 0.0 113.094 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -150.82 59.13 0.93 Allowed 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 173.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 p30 44.44 -80.4 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.627 1.971 . . . . 0.0 114.753 172.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -75.52 -34.18 60.77 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.173 0.989 . . . . 0.0 113.409 -174.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -133.41 151.61 51.83 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.3 0.955 . . . . 0.0 113.251 -169.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.0 t -93.7 100.89 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 126.86 2.064 . . . . 0.0 109.187 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -79.56 148.91 31.57 Favored 'General case' 0 C--N 1.333 -0.115 0 O-C-N 121.923 -0.486 . . . . 0.0 110.759 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -43.46 -62.4 1.09 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -169.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -59.6 -30.95 69.04 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.419 -0.801 . . . . 0.0 111.255 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -75.4 -37.42 60.52 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.876 0.47 . . . . 0.0 109.83 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -55.79 -51.96 65.64 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 168.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.5 mm -55.91 -52.52 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.1 m -54.78 -46.04 74.35 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.257 0.623 . . . . 0.0 111.149 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -61.88 -44.19 97.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 121.939 -0.476 . . . . 0.0 110.425 177.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.7 mt -56.5 -35.39 67.95 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.905 0.775 . . . . 0.0 110.446 172.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.74 -52.52 50.15 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 168.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.76 -44.56 73.74 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.318 -1.107 . . . . 0.0 111.188 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.1 tp -58.61 -46.54 86.81 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.12 0.968 . . . . 0.0 110.027 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.74 -46.18 84.82 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.627 0.771 . . . . 0.0 110.973 175.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 35.6 tpp -60.03 -44.61 94.5 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.173 -0.33 . . . . 0.0 110.871 176.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.5 mt -59.08 -41.58 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.708 0.803 . . . . 0.0 109.443 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -72.52 56.99 0.39 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.167 0.587 . . . . 0.0 109.873 169.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -62.34 -26.48 68.47 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 121.086 -1.009 . . . . 0.0 112.313 -169.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -56.1 -49.32 74.19 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 122.966 0.506 . . . . 0.0 110.159 169.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.05 -43.62 98.14 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.326 0 O-C-N 123.424 0.452 . . . . 0.0 110.376 177.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -59.35 -34.14 97.68 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.067 1.844 . . . . 0.0 113.912 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 65.4 tp -81.75 -45.37 15.75 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.437 0.562 . . . . 0.0 109.986 172.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -49.85 -46.26 51.19 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 123.738 0.815 . . . . 0.0 110.61 -175.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -55.61 -42.59 75.07 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 120.669 0.271 . . . . 0.0 111.343 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.04 -53.21 15.52 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 121.865 -0.522 . . . . 0.0 110.476 -173.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.6 pt -56.82 -42.45 77.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 119.399 -0.92 . . . . 0.0 108.979 173.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.33 -43.12 26.41 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 125.531 1.539 . . . . 0.0 112.47 173.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -62.36 1.9 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.121 0.96 . . . . 0.0 110.039 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -51.22 -47.14 62.39 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.99 0.916 . . . . 0.0 110.257 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 62.4 mt -60.96 -51.93 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 123.018 0.527 . . . . 0.0 109.925 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.28 -55.08 28.31 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 10.2 mt -48.45 -54.99 3.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -59.85 -53.52 56.9 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.232 0.539 . . . . 0.0 111.982 -175.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -74.73 -29.45 61.18 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 121.973 -0.454 . . . . 0.0 111.686 -169.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -57.08 -52.83 63.73 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 170.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -59.67 -46.87 87.75 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 119.355 -0.355 . . . . 0.0 111.14 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 18.6 m -51.21 -45.1 61.78 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.698 0.761 . . . . 0.0 111.366 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.925 0 C-N-CA 123.942 0.782 . . . . 0.0 113.109 178.38 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 . . . . . 0 CA--C 1.536 0.442 0 CA-C-O 121.506 0.669 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 29.2 m -154.84 114.02 3.66 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.77 1.228 . . . . 0.0 109.814 -173.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 29.6 mt -79.94 166.0 22.07 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 34.0 p -100.15 152.27 20.45 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 167.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -51.69 -43.45 62.78 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -172.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -73.0 -33.1 65.58 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.439 -0.788 . . . . 0.0 110.858 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.05 -39.68 93.67 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.227 -0.92 . . . . 0.0 109.619 172.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -56.32 -47.56 78.51 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 170.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -52.8 -48.46 66.87 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 120.775 -1.203 . . . . 0.0 111.069 172.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -58.45 -36.01 73.03 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 122.737 0.415 . . . . 0.0 111.793 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.25 -56.42 21.8 Favored 'General case' 0 N--CA 1.458 -0.053 0 C-N-CA 123.953 0.901 . . . . 0.0 109.383 170.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 51.4 mt -56.21 -50.04 73.12 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 C-N-CA 122.639 0.376 . . . . 0.0 111.155 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -56.18 -39.3 72.17 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.629 0.65 . . . . 0.0 110.712 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -72.46 -53.91 10.8 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 121.92 -0.488 . . . . 0.0 111.477 177.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -78.38 -49.84 12.81 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 122.199 -0.313 . . . . 0.0 111.222 -169.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.0 mt . . . . . 0 CA--C 1.532 0.287 0 C-N-CA 126.767 2.027 . . . . 0.0 108.528 -176.474 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 . . . . . 0 CA--C 1.533 0.301 0 CA-C-O 119.553 -0.261 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.47 -48.48 77.0 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.392 0.615 . . . . 0.0 111.103 172.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -62.1 -42.09 98.87 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 24.1 mm -56.8 -45.27 83.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 CA-C-O 117.689 -1.148 . . . . 0.0 110.926 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.267 7.1 m -67.97 -33.73 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 121.008 1.731 . . . . 0.0 112.656 178.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -59.93 -50.43 73.81 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.368 0.986 . . . . 0.0 110.221 170.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -60.95 -41.24 95.93 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.652 0.781 . . . . 0.0 110.889 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 24.6 ttp -57.76 -53.09 62.16 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 125.192 1.397 . . . . 0.0 108.458 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -50.84 -50.07 57.49 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.986 0.514 . . . . 0.0 109.973 175.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -58.32 -45.38 88.16 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.965 -0.459 . . . . 0.0 112.176 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.1 mt -60.19 -52.59 64.65 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.499 0.72 . . . . 0.0 110.903 175.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.33 -19.59 46.18 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -169.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 28.9 ttm105 . . . . . 0 CA--C 1.528 0.118 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.077 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 39.9 t -123.86 103.93 13.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -77.72 150.82 34.38 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -44.82 -49.52 10.74 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -56.2 -47.94 77.39 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.796 -0.565 . . . . 0.0 110.161 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -62.98 -43.84 97.68 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.823 0.849 . . . . 0.0 109.553 -176.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -53.16 -55.77 21.55 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.813 0.845 . . . . 0.0 110.658 172.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.1 mm -57.97 -54.58 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 118.673 0.67 . . . . 0.0 110.353 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 96.2 m -51.85 -45.62 64.1 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.728 0.811 . . . . 0.0 111.57 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -64.85 -45.18 87.17 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 122.076 -0.39 . . . . 0.0 110.381 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 76.7 mt -57.21 -34.08 68.17 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.503 -0.748 . . . . 0.0 110.236 173.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.35 -50.58 63.64 Favored Glycine 0 CA--C 1.532 1.136 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 169.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.31 -49.93 68.53 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.804 -0.821 . . . . 0.0 110.639 173.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.7 tp -58.76 -42.01 87.9 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.609 0.764 . . . . 0.0 110.931 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.54 -44.47 85.18 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 121.757 -0.59 . . . . 0.0 110.266 173.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 20.8 ttt -64.31 -39.91 94.86 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.307 -0.246 . . . . 0.0 111.29 176.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 11.2 mm -55.65 -45.83 79.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -73.29 55.7 0.46 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.315 0.646 . . . . 0.0 110.57 172.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -49.95 -39.53 40.85 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.241 1.416 . . . . 0.0 112.306 -173.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -40.99 -45.2 2.54 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.918 1.287 . . . . 0.0 112.293 172.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.9 -34.28 67.76 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.391 0.677 . . . . 0.0 111.596 -178.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 60.9 mt -57.98 -26.72 62.7 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.092 0.557 . . . . 0.0 111.302 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -73.48 -17.44 61.23 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.558 -0.714 . . . . 0.0 110.809 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 117.168 -1.907 . . . . 0.0 111.166 176.517 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 117.732 -1.128 . . . . 0.0 113.663 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -51.68 -48.4 21.61 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.356 2.704 . . . . 0.0 112.619 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.4 tp -70.78 -45.78 64.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.626 -0.671 . . . . 0.0 109.392 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -53.13 -49.59 66.25 Favored 'General case' 0 N--CA 1.458 -0.063 0 C-N-CA 122.79 0.436 . . . . 0.0 110.479 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -62.04 -40.18 94.84 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.173 -0.329 . . . . 0.0 110.876 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.81 -55.66 27.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.51 0.596 . . . . 0.0 111.476 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 pt -57.79 -43.08 83.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.81 -41.65 20.52 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.56 1.552 . . . . 0.0 112.873 170.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.39 -58.91 5.94 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.222 1.011 . . . . 0.0 109.715 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -50.38 -48.41 55.89 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.802 0.841 . . . . 0.0 109.362 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.4 mt -58.23 -52.81 54.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 C-N-CA 122.671 0.389 . . . . 0.0 110.346 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.8 -54.75 29.12 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.1 mt -51.56 -56.37 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -53.14 -53.18 54.32 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.924 0.393 . . . . 0.0 111.452 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -72.14 -28.16 63.07 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 118.424 -0.798 . . . . 0.0 112.743 -172.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -59.03 -55.02 40.49 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.436 1.016 . . . . 0.0 108.919 169.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -61.57 -46.89 87.96 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.761 -178.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.4 m -60.02 -52.15 66.59 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.772 -0.58 . . . . 0.0 109.751 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.722 0 C-N-CA 124.642 1.115 . . . . 0.0 111.805 177.756 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.0 m170 . . . . . 0 CA--C 1.538 0.486 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.6 t -155.79 143.72 19.79 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.564 -0.71 . . . . 0.0 109.962 -178.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.7 mt -105.49 139.27 40.36 Favored 'General case' 0 CA--C 1.522 -0.122 0 C-N-CA 125.071 1.348 . . . . 0.0 108.287 169.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.4 p -79.68 155.64 27.94 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.559 0.618 . . . . 0.0 109.963 169.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -48.8 -50.29 34.95 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.772 1.229 . . . . 0.0 113.557 -171.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -76.55 -28.28 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.92 -0.487 . . . . 0.0 110.38 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -66.13 -40.37 90.6 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 173.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -56.23 -51.18 69.01 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 170.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -53.08 -45.83 68.35 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.083 -1.011 . . . . 0.0 110.672 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -55.3 -48.34 74.24 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.021 0.528 . . . . 0.0 110.537 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 tt -50.37 -55.1 17.1 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 124.155 0.982 . . . . 0.0 109.291 176.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.98 -51.69 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.278 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -63.94 -25.15 68.01 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 118.633 -0.699 . . . . 0.0 112.277 -175.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.86 -57.08 3.71 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 119.387 0.994 . . . . 0.0 110.803 170.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -65.3 -65.09 0.72 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.979 0.895 . . . . 0.0 109.185 -174.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 C--N 1.33 -0.265 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 -178.814 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t70 . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.39 -50.33 40.77 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.47 0.577 . . . . 0.0 111.98 170.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -64.31 -41.58 96.77 Favored 'General case' 0 C--O 1.231 0.119 0 O-C-N 121.25 -0.906 . . . . 0.0 109.407 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.8 mm -58.35 -38.21 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 118.357 -0.83 . . . . 0.0 110.854 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.251 7.9 m -68.85 -37.59 77.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 120.118 1.327 . . . . 0.0 112.529 176.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -60.65 -51.53 69.0 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.36 0.982 . . . . 0.0 109.595 172.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 tt -53.42 -45.43 69.38 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.289 0.636 . . . . 0.0 111.129 175.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -62.15 -42.96 99.76 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.114 0.965 . . . . 0.0 109.641 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -56.79 -47.65 79.69 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -61.21 -43.27 99.15 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.924 -0.485 . . . . 0.0 111.631 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mt -60.5 -59.77 4.88 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.079 0.552 . . . . 0.0 110.434 173.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -69.82 -21.77 63.36 Favored 'General case' 0 N--CA 1.46 0.074 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -169.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.9 ttp-105 -29.92 -55.08 0.17 Allowed 'General case' 0 C--N 1.342 0.242 0 C-N-CA 126.165 1.786 . . . . 0.0 110.456 169.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -32.72 -51.21 0.28 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 126.831 2.052 . . . . 0.0 114.57 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -135.75 54.86 1.89 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 173.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.267 4.3 p30 52.81 -64.39 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 128.241 2.616 . . . . 0.0 115.998 176.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -120.93 1.66 10.44 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.583 1.953 . . . . 0.0 111.543 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -129.99 150.14 51.4 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.617 0.767 . . . . 0.0 110.182 176.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.2 t -107.05 123.83 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 174.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -79.3 154.41 29.13 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 120.415 1.461 . . . . 0.0 109.822 170.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -43.32 -53.55 5.18 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 174.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -66.3 -36.14 82.19 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 120.969 -1.082 . . . . 0.0 110.897 -175.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -59.46 -50.15 75.06 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 171.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -52.86 -52.22 58.16 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.579 0.352 . . . . 0.0 110.283 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.5 mm -57.12 -54.39 30.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 118.082 0.401 . . . . 0.0 110.336 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.2 m -48.15 -51.63 24.11 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.597 0.759 . . . . 0.0 111.081 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -64.76 -40.44 95.29 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 123.818 0.847 . . . . 0.0 110.428 -178.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.5 mt -57.95 -35.37 71.04 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.667 1.122 . . . . 0.0 110.168 171.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.75 -51.36 58.47 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 168.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.76 -42.2 71.38 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.947 -0.737 . . . . 0.0 110.944 175.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.9 tp -62.13 -44.9 95.61 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.793 1.237 . . . . 0.0 109.774 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.04 -49.2 72.18 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.189 0.596 . . . . 0.0 110.025 172.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -43.74 88.75 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 122.826 0.451 . . . . 0.0 111.014 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.1 mt -66.03 -44.28 92.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 124.644 1.178 . . . . 0.0 110.419 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -53.88 -45.97 71.22 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 171.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 72.45 -57.25 0.63 Allowed 'General case' 0 C--O 1.228 -0.059 0 C-N-CA 125.841 1.656 . . . . 0.0 113.945 166.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -52.36 -40.73 62.36 Favored 'General case' 0 CA--C 1.529 0.163 0 O-C-N 121.824 -0.547 . . . . 0.0 109.61 173.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.09 -39.02 8.74 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.531 1.133 . . . . 0.0 112.526 173.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.0 mt . . . . . 0 CA--C 1.532 0.262 0 C-N-CA 123.092 0.557 . . . . 0.0 110.882 179.858 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -51.92 -44.72 43.31 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.529 2.153 . . . . 0.0 113.0 177.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.1 tp -65.78 -47.63 74.51 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 119.334 -0.946 . . . . 0.0 110.23 177.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -53.32 -50.0 65.89 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.7 0.8 . . . . 0.0 110.086 -177.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -61.14 -40.74 94.95 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.07 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.5 -55.16 34.14 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.664 0.665 . . . . 0.0 111.811 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 31.0 pt -57.71 -44.24 85.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.07 -45.39 9.62 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 125.324 1.44 . . . . 0.0 112.454 170.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.72 -59.74 4.75 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.227 1.011 . . . . 0.0 109.99 -178.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 mp -51.68 -49.52 62.22 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.661 0.784 . . . . 0.0 109.719 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.68 -47.68 88.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.307 -176.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.42 -56.67 23.16 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.8 mt -45.57 -50.37 3.49 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 C-N-CA 123.581 0.752 . . . . 0.0 109.317 177.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -59.48 -65.19 0.71 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.649 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -64.63 -32.95 74.84 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -168.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -56.85 -43.9 81.61 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 173.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -69.19 -47.71 64.14 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 118.301 -0.857 . . . . 0.0 111.423 175.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.5 m -47.7 -44.45 27.6 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 119.598 1.09 . . . . 0.0 111.778 177.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.286 0 C-N-CA 123.882 0.753 . . . . 0.0 113.853 177.068 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 . . . . . 0 CA--C 1.536 0.429 0 CA-C-O 121.001 0.429 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 80.5 p -142.31 159.27 42.56 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.079 1.351 . . . . 0.0 109.695 -176.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 89.8 mt -130.71 130.64 44.08 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 168.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.5 t -78.82 178.39 7.97 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.375 0.534 . . . . 0.0 110.042 173.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -63.6 -64.42 0.9 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.716 0.806 . . . . 0.0 111.142 -169.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -66.19 -33.26 75.36 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.651 -0.655 . . . . 0.0 110.531 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -55.86 -51.3 68.03 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.349 0.659 . . . . 0.0 109.635 173.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.21 -47.5 83.28 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.207 0.603 . . . . 0.0 109.529 174.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -56.79 -39.35 73.92 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 120.846 -1.159 . . . . 0.0 111.233 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -65.03 -34.27 78.03 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.726 0.81 . . . . 0.0 111.144 177.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 tt -58.97 -55.97 28.32 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 169.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 54.5 mt -57.2 -53.47 43.05 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 CA-C-O 119.499 -0.286 . . . . 0.0 110.598 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -52.43 -35.14 51.49 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 118.219 0.463 . . . . 0.0 111.686 -178.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -74.13 -61.15 1.96 Allowed 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 117.748 0.249 . . . . 0.0 110.801 175.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -68.87 -63.18 1.11 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 122.182 0.991 . . . . 0.0 109.244 -172.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 46.5 mt . . . . . 0 C--N 1.325 -0.458 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 178.663 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 14.1 t70 . . . . . 0 CA--C 1.53 0.208 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.54 -45.85 69.97 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.459 0.647 . . . . 0.0 110.89 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -64.92 -42.19 94.9 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 26.3 mm -56.65 -48.31 80.89 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 CA-C-O 117.888 -1.053 . . . . 0.0 111.078 174.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.257 7.2 m -67.77 -33.82 63.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 120.606 1.548 . . . . 0.0 112.177 -178.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -60.19 -49.47 77.48 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.123 0.874 . . . . 0.0 110.163 170.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.12 -41.43 88.2 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.89 0.876 . . . . 0.0 111.575 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 51.6 ttp -58.14 -53.9 52.99 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.978 1.311 . . . . 0.0 107.992 175.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -50.44 -51.71 44.37 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 123.645 0.59 . . . . 0.0 109.506 175.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -53.78 -51.55 63.07 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.771 0.714 . . . . 0.0 111.925 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.7 mt -53.96 -59.92 4.01 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.377 0.671 . . . . 0.0 110.609 177.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -67.49 -32.35 73.11 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -173.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 45.2 ttm105 . . . . . 0 C--N 1.34 0.159 0 C-N-CA 124.043 0.937 . . . . 0.0 110.911 -170.892 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 . . . . . 0 C--O 1.224 -0.266 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 10.6 p -103.63 129.4 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 166.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -84.59 154.8 22.38 Favored 'General case' 0 CA--C 1.526 0.044 0 O-C-N 121.99 -0.444 . . . . 0.0 109.878 175.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -40.77 -51.8 3.05 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.751 1.22 . . . . 0.0 114.072 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.0 tp60 -59.8 -45.56 91.92 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.193 -0.942 . . . . 0.0 110.436 -178.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.08 -40.24 94.38 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.688 0.795 . . . . 0.0 109.671 -178.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -55.01 -53.62 53.47 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.401 0.681 . . . . 0.0 110.331 172.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.0 mm -57.6 -53.04 49.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 118.257 0.48 . . . . 0.0 109.924 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 61.7 m -51.77 -47.16 64.29 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.911 -0.493 . . . . 0.0 111.499 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -61.72 -46.2 90.67 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 122.554 0.342 . . . . 0.0 110.217 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 79.1 mt -57.73 -36.33 71.9 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.605 0.639 . . . . 0.0 110.53 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.69 -51.26 57.87 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 169.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.15 -44.21 83.21 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.712 -0.876 . . . . 0.0 110.943 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 tp -57.4 -48.83 78.07 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.285 1.034 . . . . 0.0 109.81 177.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.1 86.07 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.719 0.807 . . . . 0.0 111.016 176.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 21.5 ttt -66.36 -41.37 89.58 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.975 -0.453 . . . . 0.0 111.085 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 66.6 mt -59.96 -40.28 82.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.758 0.823 . . . . 0.0 109.203 173.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -71.42 55.39 0.23 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.513 0.725 . . . . 0.0 110.211 169.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -27.46 68.61 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 120.9 -1.125 . . . . 0.0 111.219 -170.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -56.76 -36.57 69.94 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.714 -0.616 . . . . 0.0 111.729 172.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.55 89.13 Favored 'General case' 0 CA--C 1.528 0.12 0 O-C-N 121.969 -0.457 . . . . 0.0 109.877 175.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 mt -60.13 -45.67 92.24 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.486 176.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.85 -46.64 89.78 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.311 0.645 . . . . 0.0 110.357 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.094 0 CA-C-O 116.95 -2.028 . . . . 0.0 111.109 -173.935 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.64 0 CA-C-O 117.52 -1.228 . . . . 0.0 112.818 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -53.63 -46.63 32.32 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.815 2.343 . . . . 0.0 113.048 179.306 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 tp -74.2 -45.82 45.9 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.217 178.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -53.05 -46.8 68.69 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 122.702 0.401 . . . . 0.0 110.708 -176.205 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -62.91 -37.24 86.19 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.068 -0.395 . . . . 0.0 111.306 177.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.67 -52.57 29.66 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.733 -0.604 . . . . 0.0 111.088 -178.712 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.6 pt -57.75 -42.8 82.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 173.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.58 -41.73 18.9 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 125.418 1.485 . . . . 0.0 112.628 170.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.15 -58.3 7.68 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.581 1.191 . . . . 0.0 109.661 178.769 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mp -51.51 -47.08 63.43 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 122.963 0.505 . . . . 0.0 110.018 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -60.28 -57.69 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 178.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.68 -50.06 26.33 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 124.814 1.197 . . . . 0.0 111.553 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.1 mt -54.0 -60.17 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 175.212 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.12 -51.73 56.0 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 121.411 0.624 . . . . 0.0 111.226 -176.147 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -73.24 -26.74 61.24 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 117.917 -1.04 . . . . 0.0 112.663 -172.263 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -70.8 -42.79 69.85 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.476 1.489 . . . . 0.0 110.069 171.51 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -64.65 -44.34 90.76 Favored 'General case' 0 C--N 1.34 0.172 0 O-C-N 121.758 -0.589 . . . . 0.0 111.256 177.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.5 t -55.63 -52.14 64.81 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 170.108 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.608 0 C-N-CA 126.369 1.938 . . . . 0.0 112.698 175.82 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 . . . . . 0 CA--C 1.537 0.481 0 CA-C-O 120.839 0.352 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.2 p -145.5 144.39 30.53 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 126.408 1.883 . . . . 0.0 107.846 -172.64 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 pp -143.09 150.35 39.39 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.108 0.413 . . . . 0.0 110.653 168.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.0 m -78.12 156.38 29.98 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -167.792 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -42.88 -54.89 3.96 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 126.531 1.933 . . . . 0.0 112.517 -178.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -70.84 -32.14 69.08 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.741 -0.599 . . . . 0.0 110.914 -178.164 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -64.8 -40.14 94.74 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.436 -0.79 . . . . 0.0 109.158 176.067 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -57.24 -50.59 72.4 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 170.358 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -54.12 -42.55 69.6 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 120.918 -1.114 . . . . 0.0 111.382 176.69 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -58.11 -50.1 74.65 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tt -49.47 -55.5 13.0 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 124.512 1.125 . . . . 0.0 110.178 176.61 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.16 -56.49 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -177.398 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -56.24 -34.14 66.06 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 118.998 -0.525 . . . . 0.0 111.576 -174.408 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -78.09 -59.52 2.75 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 118.565 0.62 . . . . 0.0 110.745 176.355 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -73.72 -49.51 25.33 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 123.19 0.596 . . . . 0.0 111.655 -168.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.333 -0.134 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 176.236 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 . . . . . 0 C--O 1.226 -0.178 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.31 -48.69 55.1 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.02 0.928 . . . . 0.0 111.496 173.137 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -60.41 -47.61 85.33 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 176.407 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.3 mm -56.3 -44.45 79.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.644 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.2 m -71.95 -34.42 50.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 120.18 1.355 . . . . 0.0 112.687 179.566 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.29 -51.51 69.66 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.551 1.069 . . . . 0.0 109.71 171.709 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 tt -57.68 -43.4 85.04 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.676 0.791 . . . . 0.0 110.927 176.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 45.7 ttp -57.11 -47.69 80.46 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 123.62 0.768 . . . . 0.0 108.957 175.64 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -55.08 -49.11 72.49 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 118.294 0.497 . . . . 0.0 109.87 175.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -54.41 -47.25 72.98 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 177.537 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.1 -61.9 2.27 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 122.992 0.517 . . . . 0.0 110.665 174.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -65.91 -12.43 54.63 Favored 'General case' 0 C--O 1.228 -0.072 0 C-N-CA 124.511 1.125 . . . . 0.0 113.628 -174.383 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -48.62 -28.22 3.34 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.859 0.754 . . . . 0.0 110.083 168.272 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -38.69 -53.49 1.64 Allowed 'General case' 0 C--N 1.342 0.271 0 C-N-CA 124.964 1.306 . . . . 0.0 112.468 167.749 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 pttp 179.11 153.53 0.41 Allowed 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 127.155 2.182 . . . . 0.0 109.055 178.27 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -53.0 142.86 18.61 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.404 0.682 . . . . 0.0 111.249 -177.399 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 72.41 -58.2 0.6 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.375 1.87 . . . . 0.0 113.357 170.165 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -108.13 118.8 37.7 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.752 1.221 . . . . 0.0 112.053 -169.657 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.0 t -79.79 123.75 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 168.22 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -86.57 146.52 26.32 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.026 0.53 . . . . 0.0 110.827 178.219 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -40.64 -54.63 2.54 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.057 1.743 . . . . 0.0 113.524 177.572 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -58.31 -46.69 85.68 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.75 -0.594 . . . . 0.0 110.089 -175.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -70.01 -35.23 74.21 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -176.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -53.54 -55.27 27.01 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 119.266 -0.397 . . . . 0.0 110.287 169.272 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 21.0 mm -57.69 -51.34 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 118.998 0.817 . . . . 0.0 110.28 178.785 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.8 m -49.3 -51.8 31.64 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.515 0.726 . . . . 0.0 110.205 179.33 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -63.77 -42.38 97.81 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 123.127 0.571 . . . . 0.0 110.786 -178.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.0 mt -56.19 -37.04 69.06 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.236 0.926 . . . . 0.0 110.516 173.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.22 -51.49 53.76 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.611 -0.595 . . . . 0.0 111.611 169.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.3 84.87 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.223 -0.575 . . . . 0.0 110.664 177.177 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 tp -56.13 -48.58 75.95 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.361 1.064 . . . . 0.0 109.927 178.55 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.5 -49.72 75.41 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.323 0.649 . . . . 0.0 110.828 176.143 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -55.68 -46.58 77.57 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.047 0.539 . . . . 0.0 110.642 178.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.3 mt -66.32 -45.55 89.35 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 125.144 1.377 . . . . 0.0 110.463 -177.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -51.64 -50.69 59.8 Favored 'General case' 0 C--N 1.34 0.17 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 172.548 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 71.46 -54.85 0.67 Allowed 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 125.871 1.668 . . . . 0.0 114.193 168.005 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -51.45 -36.8 45.7 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.432 1.093 . . . . 0.0 110.411 171.537 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.53 -44.68 62.71 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.42 0.688 . . . . 0.0 111.277 171.477 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.6 mt . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 174.924 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.445 -0.678 0 CA-C-O 116.938 -1.506 . . . . 0.0 114.054 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -55.63 -52.05 8.44 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.201 1.934 . . . . 0.0 112.962 -173.081 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -71.33 -45.26 63.41 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.772 178.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -53.11 -48.09 68.12 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 122.272 0.229 . . . . 0.0 111.312 -176.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -64.52 -37.87 89.06 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 118.111 0.414 . . . . 0.0 110.77 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.4 -54.03 34.63 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 121.779 -0.575 . . . . 0.0 111.419 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 30.1 pt -56.96 -43.41 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 175.099 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.22 -40.94 14.99 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 125.917 1.722 . . . . 0.0 113.095 171.013 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.07 -60.73 3.05 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.55 1.175 . . . . 0.0 109.619 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -49.66 -48.92 49.08 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.78 0.832 . . . . 0.0 109.708 178.244 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 64.5 mt -57.97 -55.57 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 123.715 0.806 . . . . 0.0 110.075 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.21 -54.04 31.41 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -178.256 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.9 mt -51.26 -57.62 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 177.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -53.11 -60.15 3.65 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.459 0.647 . . . . 0.0 111.613 -176.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -26.15 65.56 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 118.74 -0.648 . . . . 0.0 111.596 -169.145 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -58.38 -55.55 33.59 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.31 0.959 . . . . 0.0 109.3 169.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -59.24 -48.97 79.65 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.48 -179.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.8 m -50.59 -50.96 52.54 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.378 0.99 . . . . 0.0 111.526 172.486 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.721 0 C-N-CA 124.897 1.237 . . . . 0.0 111.801 179.357 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 . . . . . 0 CA--C 1.536 0.421 0 CA-C-O 120.622 0.249 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 20.9 m -155.2 155.65 34.26 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.233 1.813 . . . . 0.0 106.568 -177.157 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.0 tt -150.83 134.03 16.12 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.084 0.954 . . . . 0.0 108.519 -168.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.2 t -78.73 175.73 10.17 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 122.198 0.999 . . . . 0.0 113.517 -172.123 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -66.59 -71.65 0.19 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 127.363 2.265 . . . . 0.0 111.753 -168.548 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -64.13 -28.79 70.0 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.489 -0.757 . . . . 0.0 109.788 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.14 -40.79 96.91 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 121.737 -0.602 . . . . 0.0 111.03 174.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -54.9 -48.42 73.07 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-N 119.049 0.84 . . . . 0.0 108.82 170.338 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -56.74 -41.59 77.8 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 119.387 -0.925 . . . . 0.0 111.165 177.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -56.94 -50.4 72.73 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.089 0.556 . . . . 0.0 110.627 174.486 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tt -48.88 -53.52 19.17 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 123.946 0.898 . . . . 0.0 109.26 174.694 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 50.3 mt -60.96 -57.49 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-O 119.127 -0.463 . . . . 0.0 110.35 -178.03 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -55.88 -40.07 72.44 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.979 0.809 . . . . 0.0 111.998 -176.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -80.99 -41.2 23.13 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.725 0.693 . . . . 0.0 112.287 -174.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -81.2 -58.68 2.95 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.36 0.527 . . . . 0.0 110.292 178.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 mm? . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -179.071 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 C--O 1.227 -0.127 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.02 -46.83 61.69 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.426 0.69 . . . . 0.0 111.197 175.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -66.0 -43.15 88.6 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.563 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 29.1 mm -57.36 -46.51 85.44 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-O 118.66 -0.686 . . . . 0.0 110.619 176.079 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.251 26.1 m -70.95 -32.74 49.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 119.89 1.223 . . . . 0.0 112.406 -179.093 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -59.32 -52.63 64.8 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.355 0.979 . . . . 0.0 109.481 169.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.81 -44.95 70.63 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.054 0.941 . . . . 0.0 111.153 176.453 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 54.2 ttp -58.66 -50.47 73.73 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 124.395 1.078 . . . . 0.0 108.985 177.014 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -54.0 -47.57 71.32 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.748 0.819 . . . . 0.0 110.155 177.734 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -58.01 -52.18 66.59 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 122.173 -0.329 . . . . 0.0 110.644 177.405 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -55.27 -51.43 66.67 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.18 0.592 . . . . 0.0 111.22 177.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -71.98 -28.98 63.78 Favored 'General case' 0 CA--C 1.529 0.147 0 O-C-N 121.36 -0.837 . . . . 0.0 112.94 -173.555 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.344 0.359 0 C-N-CA 124.365 1.066 . . . . 0.0 111.195 -178.273 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 N--CA 1.448 -0.563 0 CA-C-O 120.753 0.311 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 22.5 t -81.26 113.95 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 169.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -77.94 153.45 32.51 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.237 0.926 . . . . 0.0 109.764 175.41 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -50.15 -48.4 53.78 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 176.727 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -58.68 -48.57 80.63 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.553 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -54.89 -48.83 72.51 Favored 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.125 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -52.49 -54.76 28.17 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 119.308 -0.377 . . . . 0.0 110.915 177.591 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 20.2 mm -59.51 -51.18 75.72 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 118.885 0.766 . . . . 0.0 110.623 -179.594 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 32.1 m -52.61 -48.45 66.29 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.751 0.82 . . . . 0.0 110.0 -179.734 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -63.29 -43.01 99.11 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 123.966 0.906 . . . . 0.0 110.287 179.28 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 85.2 mt -58.38 -34.59 70.88 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.477 1.035 . . . . 0.0 110.468 173.589 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.46 -50.57 63.89 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 168.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.3 74.71 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.776 -0.838 . . . . 0.0 111.714 174.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.2 tp -64.23 -45.07 89.79 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.26 1.024 . . . . 0.0 109.479 178.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.23 -43.96 79.13 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.134 0.574 . . . . 0.0 110.253 171.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 41.7 ttm -61.71 -42.22 98.65 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 122.099 -0.376 . . . . 0.0 111.767 175.099 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 70.9 mt -58.35 -43.1 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 175.005 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -74.73 50.93 0.46 Allowed 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.72 -0.613 . . . . 0.0 109.979 169.386 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.54 -32.45 50.65 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 124.255 1.022 . . . . 0.0 112.618 -167.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -50.16 -42.56 51.14 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 122.73 0.412 . . . . 0.0 111.204 176.002 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.07 -33.19 64.79 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.247 0.619 . . . . 0.0 111.146 177.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 16.0 mt -74.29 6.79 3.29 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -179.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -93.97 0.14 55.88 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.691 0.678 . . . . 0.0 109.805 167.365 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 117.043 -1.976 . . . . 0.0 110.817 -175.821 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -59.28 -42.03 53.56 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 121.691 1.594 . . . . 0.0 113.176 -174.09 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.3 tp -81.01 -43.64 19.29 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 118.695 0.68 . . . . 0.0 110.077 176.379 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.06 -42.75 63.39 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.909 0.883 . . . . 0.0 111.21 -177.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -58.0 -43.69 86.76 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 119.338 0.972 . . . . 0.0 110.712 176.291 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.17 -54.99 16.09 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 122.324 -0.235 . . . . 0.0 110.617 -174.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.8 pt -59.81 -41.88 87.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 119.41 -0.916 . . . . 0.0 109.491 177.161 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.97 -41.5 37.21 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 125.198 1.38 . . . . 0.0 112.157 172.048 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -60.26 4.09 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.546 1.139 . . . . 0.0 109.573 -179.882 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -51.42 -47.06 63.11 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.487 0.715 . . . . 0.0 110.118 178.306 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.9 mt -59.47 -52.29 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.394 0.677 . . . . 0.0 110.025 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.19 -53.32 45.63 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 -178.585 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.5 mt -49.4 -55.02 4.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 176.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -57.44 -57.24 13.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.998 -175.401 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -72.78 -28.38 62.56 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 118.811 -0.614 . . . . 0.0 111.468 -169.225 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -61.46 -51.45 68.65 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.926 0.785 . . . . 0.0 109.23 170.129 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -59.13 -38.95 80.87 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 178.376 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.1 m -62.56 -50.55 70.86 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.963 -0.46 . . . . 0.0 109.979 175.525 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.752 0 C-N-CA 124.718 1.152 . . . . 0.0 111.79 175.921 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 . . . . . 0 CA--C 1.536 0.424 0 CA-C-O 121.144 0.497 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.2 m -153.34 143.21 22.06 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.399 1.48 . . . . 0.0 107.642 -177.427 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.6 mt -112.49 157.56 20.96 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 125.758 1.623 . . . . 0.0 108.867 174.61 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.2 p -86.33 156.56 20.17 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 166.127 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -40.33 73.86 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.043 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -38.18 64.82 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.328 -0.858 . . . . 0.0 110.468 179.368 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -61.62 -43.56 98.64 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.109 0.868 . . . . 0.0 109.511 175.189 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.5 -49.22 65.19 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 169.331 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -53.69 -43.55 69.01 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.892 -1.13 . . . . 0.0 111.199 178.376 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -46.94 88.71 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.576 0.35 . . . . 0.0 110.895 175.659 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 tt -48.54 -52.96 20.11 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 123.604 0.762 . . . . 0.0 109.5 175.107 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.5 mt -57.4 -52.77 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 176.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.72 -39.53 68.32 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.292 0.496 . . . . 0.0 111.395 -174.787 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.11 -53.39 8.96 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 178.225 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -75.32 -64.31 1.09 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 122.243 1.021 . . . . 0.0 109.239 -174.33 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--N 1.326 -0.451 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -174.175 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 t70 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.08 -44.54 71.27 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.94 0.4 . . . . 0.0 110.139 176.377 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -62.22 -46.27 89.61 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.102 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.7 mm -51.95 -52.37 23.56 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.624 173.59 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.295 15.2 m -70.47 -32.37 49.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 120.241 1.382 . . . . 0.0 112.646 -173.855 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -56.82 -50.56 72.01 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.205 0.911 . . . . 0.0 109.074 169.093 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tt -60.36 -40.66 91.56 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.449 0.699 . . . . 0.0 112.069 178.253 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -36.62 77.26 Favored 'General case' 0 CA--C 1.523 -0.074 0 O-C-N 121.133 -0.979 . . . . 0.0 109.27 -178.51 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.93 -54.27 48.85 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 169.373 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -52.52 -46.87 66.88 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.013 0.37 . . . . 0.0 111.529 -178.188 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 mt -55.75 -66.16 0.47 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.042 0.537 . . . . 0.0 109.957 171.661 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 p30 -59.72 -22.59 62.25 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -171.521 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.7 ttt85 -52.47 -28.86 21.95 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 125.328 1.451 . . . . 0.0 111.511 175.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -49.13 -29.74 5.72 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 172.543 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -128.39 -63.43 0.99 Allowed 'General case' 0 C--N 1.34 0.175 0 C-N-CA 124.358 1.063 . . . . 0.0 110.44 174.22 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 173.46 -54.2 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 127.45 2.3 . . . . 0.0 109.725 179.229 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -143.23 6.6 1.53 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.108 1.363 . . . . 0.0 111.542 -169.065 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -136.16 154.63 50.91 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.755 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.1 t -117.67 114.33 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 124.635 1.174 . . . . 0.0 107.993 177.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -78.74 146.85 33.66 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 120.083 -0.647 . . . . 0.0 109.551 175.384 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -42.01 -55.87 3.01 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -60.54 -42.59 96.82 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.64 -0.662 . . . . 0.0 109.637 -174.65 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -69.8 -35.25 74.68 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.704 0.801 . . . . 0.0 110.077 -177.235 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.09 -53.3 57.63 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.196 0.598 . . . . 0.0 109.66 169.593 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.5 mt -62.94 -43.07 98.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 118.896 0.771 . . . . 0.0 111.4 179.083 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.0 m -49.42 -51.49 35.02 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.331 0.586 . . . . 0.0 109.678 173.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -61.25 -43.65 98.53 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.917 -0.563 . . . . 0.0 111.172 177.238 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.3 mt -56.04 -32.3 63.92 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.877 1.217 . . . . 0.0 110.856 175.353 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.11 -48.24 86.87 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 121.593 -0.692 . . . . 0.0 111.49 169.114 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.22 86.27 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.767 -0.843 . . . . 0.0 110.986 173.07 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.22 -44.13 97.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 121.555 -0.715 . . . . 0.0 109.973 179.172 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.09 -45.86 83.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.329 0.652 . . . . 0.0 110.395 172.461 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.5 ttt -60.72 -36.45 78.87 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.748 -0.595 . . . . 0.0 112.19 175.585 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.2 mt -69.91 -42.62 79.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.084 0.954 . . . . 0.0 110.498 176.781 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -52.3 -50.91 61.25 Favored 'General case' 0 C--N 1.342 0.246 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 170.55 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 71.61 -59.47 0.55 Allowed 'General case' 0 C--O 1.23 0.068 0 C-N-CA 126.637 1.975 . . . . 0.0 113.524 168.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -52.59 -40.09 62.28 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.329 1.052 . . . . 0.0 109.943 177.205 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.73 -42.07 64.55 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.452 0.701 . . . . 0.0 111.629 173.092 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.875 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -53.21 -36.8 78.98 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.071 2.514 . . . . 0.0 113.988 176.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 62.9 tp -80.33 -48.18 13.37 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 119.146 0.885 . . . . 0.0 109.808 174.266 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -52.55 -44.02 65.56 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 122.253 0.221 . . . . 0.0 110.89 -176.217 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -59.79 -39.05 83.63 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 117.928 0.331 . . . . 0.0 111.329 175.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.06 -54.53 17.65 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.364 0.529 . . . . 0.0 110.009 -176.365 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 25.0 pt -58.13 -43.09 84.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.68 -44.08 22.87 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 125.03 1.3 . . . . 0.0 112.482 170.221 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.14 -59.17 5.7 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.646 1.178 . . . . 0.0 109.448 -179.727 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -52.58 -48.03 66.48 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.287 0.635 . . . . 0.0 110.456 178.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.1 mt -61.92 -50.17 81.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 C-N-CA 123.106 0.562 . . . . 0.0 110.103 -176.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.96 -47.91 88.88 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 125.045 1.307 . . . . 0.0 110.023 -177.71 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 mt -53.16 -55.81 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 174.539 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -52.64 -59.26 4.69 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.167 -176.044 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -69.24 -27.98 65.94 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -172.319 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -59.22 -54.8 42.72 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 170.003 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -62.22 -42.85 99.68 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 119.568 -0.253 . . . . 0.0 111.676 -178.671 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -57.91 -50.7 72.46 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.844 0.747 . . . . 0.0 110.401 173.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.626 0 C-N-CA 124.927 1.251 . . . . 0.0 111.322 178.522 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 . . . . . 0 CA--C 1.538 0.49 0 CA-C-O 121.01 0.433 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 98.7 m -148.9 151.37 34.54 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.762 1.225 . . . . 0.0 108.423 -176.434 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 76.5 mt -128.19 148.6 50.62 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 126.683 1.993 . . . . 0.0 108.05 175.204 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.3 p -84.44 162.98 19.74 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.643 0.656 . . . . 0.0 110.556 168.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -45.45 -54.58 7.19 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.41 1.484 . . . . 0.0 113.189 176.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -77.4 -33.48 55.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.768 -172.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -60.12 -42.36 94.59 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 171.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -59.34 -49.98 75.72 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 174.178 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -51.44 -49.32 61.91 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.172 -0.955 . . . . 0.0 110.175 176.418 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -55.35 -47.77 75.23 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.644 0.777 . . . . 0.0 111.146 179.243 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 tt -48.21 -53.97 15.14 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 124.239 1.016 . . . . 0.0 108.863 173.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 66.2 mt -65.0 -36.54 78.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 O-C-N 121.804 -0.56 . . . . 0.0 112.082 -178.594 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -61.55 -43.26 99.18 Favored 'General case' 0 N--CA 1.456 -0.13 0 O-C-N 121.561 -0.712 . . . . 0.0 109.746 178.264 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -54.13 18.58 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.294 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.9 -57.21 10.49 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.134 0.574 . . . . 0.0 112.151 -172.675 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 27.5 mt . . . . . 0 C--N 1.331 -0.219 0 C-N-CA 122.61 0.364 . . . . 0.0 110.584 -171.48 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t70 . . . . . 0 N--CA 1.464 0.261 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.33 -47.54 65.97 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.433 0.635 . . . . 0.0 111.092 174.384 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -65.71 -42.01 91.61 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.732 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 47.6 mm -54.48 -49.74 63.43 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 CA-C-O 118.788 -0.625 . . . . 0.0 110.31 174.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.275 16.4 m -67.87 -35.54 72.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 119.534 1.061 . . . . 0.0 112.443 -178.533 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -59.09 -55.22 37.82 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.552 1.069 . . . . 0.0 110.217 171.511 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 tt -51.79 -46.66 64.3 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.066 0.946 . . . . 0.0 110.912 176.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -63.35 -41.52 98.85 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.31 1.044 . . . . 0.0 109.726 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -58.85 -47.96 83.03 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 174.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -57.62 -48.7 78.71 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.826 -0.546 . . . . 0.0 110.582 179.057 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.1 mt -56.34 -53.07 61.62 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.036 0.535 . . . . 0.0 111.335 174.636 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -76.1 -20.81 57.34 Favored 'General case' 0 CA--C 1.527 0.061 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -169.171 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 . . . . . 0 CA--C 1.531 0.223 0 C-N-CA 124.198 0.999 . . . . 0.0 109.602 175.924 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 . . . . . 0 CA--C 1.535 0.393 0 CA-C-O 120.765 0.317 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 4.4 t -96.33 139.85 18.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 125.413 1.485 . . . . 0.0 107.489 171.762 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -111.83 147.06 36.54 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.446 1.021 . . . . 0.0 109.572 176.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -41.66 -61.21 1.13 Allowed 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -169.48 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -61.66 -37.52 84.36 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.238 -0.914 . . . . 0.0 110.593 -172.63 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -67.51 -39.13 85.11 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.753 0.821 . . . . 0.0 110.156 177.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -54.48 -51.22 65.74 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 119.297 -0.382 . . . . 0.0 110.367 169.774 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 30.1 mm -58.09 -51.1 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 118.684 0.675 . . . . 0.0 110.412 178.149 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 46.6 m -50.15 -50.6 48.36 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.674 0.79 . . . . 0.0 110.108 178.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -62.24 -43.87 97.84 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.57 179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 72.2 mt -57.97 -37.45 74.22 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.446 1.021 . . . . 0.0 110.535 174.206 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.7 -54.69 29.22 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 169.031 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.16 -42.37 76.9 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.918 -0.754 . . . . 0.0 111.74 176.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.79 -46.71 89.42 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.412 1.085 . . . . 0.0 109.617 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.65 -42.4 88.28 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 122.966 0.506 . . . . 0.0 110.387 174.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 22.3 ttt -62.55 -42.75 99.73 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 122.157 -0.339 . . . . 0.0 111.543 176.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.07 -40.4 83.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 123.8 0.84 . . . . 0.0 109.609 174.366 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -71.97 55.78 0.3 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.36 0.664 . . . . 0.0 110.266 169.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.29 -35.27 69.59 Favored 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 121.13 -0.981 . . . . 0.0 112.028 -169.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -48.72 -39.78 25.98 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.685 0.794 . . . . 0.0 111.647 173.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.28 -51.96 60.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 173.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mt -53.46 -39.09 64.2 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 118.926 -0.559 . . . . 0.0 112.237 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -50.48 -37.46 38.7 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.772 0.714 . . . . 0.0 111.247 176.455 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.132 0 CA-C-O 117.23 -1.872 . . . . 0.0 110.36 174.875 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 tpt . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.2 -45.9 30.99 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.919 0.488 . . . . 0.0 111.085 -173.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -45.8 -44.9 35.09 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 114.962 1.468 . . . . 0.0 114.962 -170.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -53.97 -45.49 40.65 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.122 2.548 . . . . 0.0 112.777 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.9 tp -72.82 -47.32 47.39 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.246 177.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -51.74 -48.88 63.46 Favored 'General case' 0 C--N 1.337 0.033 0 C-N-CA 122.918 0.487 . . . . 0.0 110.623 -175.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -62.97 -38.63 91.88 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.293 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.18 -52.52 54.4 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.972 -0.455 . . . . 0.0 111.117 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.9 pt -57.59 -46.6 86.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 174.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.3 -45.49 5.26 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 125.014 1.292 . . . . 0.0 112.604 171.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.42 -60.95 2.78 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.161 0.985 . . . . 0.0 110.222 178.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -52.32 -47.39 66.01 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.529 0.732 . . . . 0.0 110.351 178.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.24 -47.76 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.95 -53.27 47.19 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 124.868 1.223 . . . . 0.0 110.169 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.8 mt -49.55 -48.18 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 123.192 0.597 . . . . 0.0 110.213 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -60.86 -60.83 3.18 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.826 0.346 . . . . 0.0 110.783 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -67.08 -28.0 67.82 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -168.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -52.97 -46.43 68.23 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 169.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -80.92 -48.16 12.7 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 118.111 -0.947 . . . . 0.0 111.973 -178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.9 p -55.54 -41.71 73.59 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 119.992 1.269 . . . . 0.0 110.112 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -38.1 -36.34 0.35 Allowed Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.408 1.48 . . . . 0.0 114.157 171.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -55.83 -44.51 77.99 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.056 0.943 . . . . 0.0 111.522 177.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -86.91 -34.62 19.33 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.65 0.78 . . . . 0.0 110.494 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.44 172.34 29.76 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 109.569 -1.413 . . . . 0.0 109.569 172.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -71.41 73.58 0.72 Allowed 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 117.981 0.891 . . . . 0.0 109.816 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -117.83 151.04 38.15 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.65 1.58 . . . . 0.0 108.911 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -90.76 38.18 0.94 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.435 0.694 . . . . 0.0 109.438 172.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.0 m -148.32 145.56 28.18 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.377 2.271 . . . . 0.0 105.302 -174.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 tt -148.67 127.45 12.57 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -168.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.9 m -75.81 158.32 32.3 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 119.136 0.88 . . . . 0.0 111.486 -169.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.6 pttt -63.25 -50.52 69.88 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -169.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -64.14 -34.46 78.11 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.872 -1.143 . . . . 0.0 110.267 176.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.3 -40.27 96.89 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.124 0.57 . . . . 0.0 110.151 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -57.72 -49.03 77.89 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 170.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -55.79 -43.02 76.42 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 119.187 -1.005 . . . . 0.0 110.389 176.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -60.75 -36.78 79.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.968 0.907 . . . . 0.0 111.816 176.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tt -58.73 -57.01 14.9 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 123.889 0.876 . . . . 0.0 109.361 169.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.8 mt -57.18 -53.47 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-O 119.377 -0.345 . . . . 0.0 110.579 -175.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -52.64 -39.47 61.79 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.969 -0.539 . . . . 0.0 112.357 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -80.72 -56.54 4.08 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.673 0.67 . . . . 0.0 110.917 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -73.99 -48.52 29.74 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.569 0.748 . . . . 0.0 111.22 -168.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mp -95.27 69.55 3.14 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.49 74.46 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.985 1.314 . . . . 0.0 112.387 -173.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -67.56 105.37 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 O-C-N 121.178 -0.951 . . . . 0.0 108.777 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.76 -48.14 62.62 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 171.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.4 m -71.14 63.42 0.33 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.51 1.524 . . . . 0.0 112.409 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -57.02 -15.17 4.53 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.6 mt -49.09 -31.12 7.4 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.522 -0.736 . . . . 0.0 111.325 168.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -68.02 4.15 1.32 Allowed 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -44.21 -46.04 8.74 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 120.034 1.288 . . . . 0.0 112.415 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.62 -46.25 66.97 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.412 0.625 . . . . 0.0 111.116 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -64.19 -43.36 95.31 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.5 mm -57.41 -46.02 85.6 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 CA-C-O 118.423 -0.798 . . . . 0.0 110.988 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.253 14.5 m -70.48 -32.32 49.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 120.232 1.378 . . . . 0.0 112.408 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -61.03 -48.04 83.62 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.529 1.059 . . . . 0.0 109.905 169.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.82 -44.07 81.64 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.323 -0.861 . . . . 0.0 111.038 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.9 ttp -57.38 -51.72 68.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.474 1.11 . . . . 0.0 108.775 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -50.29 -53.44 28.55 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 123.313 0.645 . . . . 0.0 109.798 173.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.89 -40.85 77.01 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.943 0.792 . . . . 0.0 113.064 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.49 -58.66 6.31 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.284 0.493 . . . . 0.0 110.204 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -67.87 -27.37 66.62 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.293 -0.88 . . . . 0.0 112.821 -173.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -49.73 -26.76 4.09 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 126.036 1.735 . . . . 0.0 112.404 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -43.25 -37.37 2.14 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 169.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -148.44 22.11 1.05 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 168.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.301 0.7 OUTLIER 63.36 -43.17 0.22 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 129.142 2.977 . . . . 0.0 116.112 179.093 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -74.24 -52.38 12.53 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.326 -0.859 . . . . 0.0 111.45 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -138.14 156.64 47.54 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.459 0.704 . . . . 0.0 111.436 -169.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 t -80.99 142.79 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 169.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -113.54 142.58 45.78 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 173.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -45.06 -55.84 5.24 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.418 1.087 . . . . 0.0 113.782 -170.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -54.66 -43.22 72.19 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.611 -0.68 . . . . 0.0 110.926 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -69.49 -38.43 77.66 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.799 0.84 . . . . 0.0 109.899 -176.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -54.02 -52.59 60.34 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.257 0.623 . . . . 0.0 109.969 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.1 mm -59.09 -53.65 45.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 118.422 0.556 . . . . 0.0 110.199 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.0 m -51.62 -44.1 62.8 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 121.531 -0.731 . . . . 0.0 111.973 177.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -65.05 -45.23 86.24 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 122.936 0.494 . . . . 0.0 110.173 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.4 mt -56.51 -34.47 67.02 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.865 0.757 . . . . 0.0 110.314 172.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.13 -49.94 64.75 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 168.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.51 -46.03 84.26 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.818 0.809 . . . . 0.0 111.29 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 tp -57.91 -46.5 84.89 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.707 0.803 . . . . 0.0 109.891 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.98 -48.05 82.95 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.561 0.744 . . . . 0.0 110.467 175.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -55.47 -46.19 76.87 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 117.932 0.333 . . . . 0.0 110.776 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.417 ' C ' ' H ' ' A' ' 85' ' ' ASN . 77.9 mt -56.6 -44.91 82.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 174.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -70.82 38.53 0.05 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.635 0.774 . . . . 0.0 112.841 170.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.417 ' H ' ' C ' ' A' ' 83' ' ' ILE . 3.2 p30 -34.91 -41.72 0.14 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 128.58 2.752 . . . . 0.0 113.804 177.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -44.33 -48.91 9.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.662 0.785 . . . . 0.0 111.264 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.53 -39.44 76.6 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.797 0.839 . . . . 0.0 111.391 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.8 mp -74.13 -39.24 63.45 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.596 0.758 . . . . 0.0 109.398 -177.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -61.39 -43.93 98.03 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.527 0.331 . . . . 0.0 110.154 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.145 0 CA-C-O 117.202 -1.888 . . . . 0.0 111.13 176.277 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 96.7 mmm . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 120.543 0.211 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.21 31.12 0.2 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.727 0.811 . . . . 0.0 110.376 174.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.73 -52.01 6.65 Favored Pre-proline 0 CA--C 1.537 0.463 0 C-N-CA 125.262 1.425 . . . . 0.0 114.785 -168.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.81 -40.65 82.68 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.606 2.204 . . . . 0.0 112.607 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 52.0 tp -79.68 -44.11 21.48 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -49.48 -49.14 46.84 Favored 'General case' 0 C--O 1.227 -0.096 0 C-N-CA 123.853 0.861 . . . . 0.0 110.641 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -59.88 -39.54 85.64 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.433 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.71 -54.11 18.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.817 -0.552 . . . . 0.0 111.253 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.5 pt -58.07 -42.65 83.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.87 -45.14 18.87 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 125.613 1.578 . . . . 0.0 111.995 171.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -60.73 3.28 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.009 0.905 . . . . 0.0 110.307 178.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -51.05 -47.18 61.8 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.504 0.722 . . . . 0.0 110.212 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 61.4 mt -60.42 -47.95 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.626 0.77 . . . . 0.0 110.065 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.25 -54.3 38.41 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 124.883 1.23 . . . . 0.0 110.124 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.2 mt -50.61 -49.83 24.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -57.75 -59.02 5.85 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.769 -0.196 . . . . 0.0 111.13 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -69.62 -31.88 70.27 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 122.043 -0.411 . . . . 0.0 111.691 -170.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -51.52 -50.24 60.36 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 169.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -65.6 -51.56 58.74 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 117.399 -1.286 . . . . 0.0 112.428 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.6 m -45.83 -43.59 13.54 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 120.505 1.502 . . . . 0.0 110.864 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -34.1 -50.41 0.65 Allowed Glycine 0 CA--C 1.525 0.697 0 C-N-CA 125.503 1.525 . . . . 0.0 114.186 170.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -39.21 -39.54 0.63 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 127.118 2.167 . . . . 0.0 112.584 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -141.31 39.75 1.75 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.933 0.493 . . . . 0.0 110.007 173.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 40.37 43.65 2.86 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 125.551 1.548 . . . . 0.0 113.685 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -80.34 47.57 0.93 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.768 0.827 . . . . 0.0 112.684 -168.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 mptt 39.35 -107.98 0.07 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.275 1.83 . . . . 0.0 113.623 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -124.32 40.04 3.83 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.065 1.346 . . . . 0.0 108.99 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.33 160.06 40.71 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 126.87 2.068 . . . . 0.0 107.379 -173.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 70.5 mt -133.48 131.36 39.77 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 170.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 49.0 m -77.93 154.68 31.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 119.047 0.839 . . . . 0.0 109.539 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -52.47 -44.66 65.71 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -168.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -80.53 -29.7 37.17 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.231 -0.918 . . . . 0.0 111.786 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -59.63 -42.7 93.29 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 173.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -55.09 -50.46 69.11 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.268 0.627 . . . . 0.0 110.228 170.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.413 ' HZ2' ' CG1' ' B' ' 54' ' ' VAL . 40.3 ttmt -52.3 -47.42 65.94 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.574 1.079 . . . . 0.0 109.948 175.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -45.13 81.37 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.52 0.6 . . . . 0.0 110.657 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 tt -49.35 -55.91 11.32 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 122.88 0.472 . . . . 0.0 110.194 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 47.2 mt -62.19 -50.68 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.305 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -53.57 -42.08 67.19 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.488 0.585 . . . . 0.0 110.846 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -53.74 13.07 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -73.45 -62.87 1.33 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -175.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -82.04 77.65 8.83 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 44.7 p -64.58 79.01 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.2 1.0 . . . . 0.0 110.574 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -54.57 -44.07 67.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 124.494 1.118 . . . . 0.0 111.386 -174.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.64 -62.07 2.39 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -171.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.8 m -69.93 69.97 0.33 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.753 1.221 . . . . 0.0 110.866 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -59.27 -11.4 4.01 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -175.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 86.1 mt -48.32 -36.15 13.77 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.499 0.72 . . . . 0.0 110.941 168.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -69.64 -2.78 12.59 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -52.38 -31.78 35.55 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 119.6 1.091 . . . . 0.0 112.213 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.54 -50.06 60.77 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.264 0.554 . . . . 0.0 111.359 171.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.91 -43.69 98.12 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 36.5 mm -55.68 -43.9 75.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 118.595 -0.717 . . . . 0.0 110.823 177.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.413 ' CG1' ' HZ2' ' B' ' 35' ' ' LYS 0.264 13.1 m -69.2 -37.13 75.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-N 119.997 1.271 . . . . 0.0 112.486 179.045 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -58.66 -51.67 68.93 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.3 0.954 . . . . 0.0 109.777 172.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tt -54.33 -45.67 72.73 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.789 0.836 . . . . 0.0 111.047 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -61.92 -44.64 96.36 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.094 0.958 . . . . 0.0 109.834 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -54.29 -53.01 59.52 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 172.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -56.94 -39.2 74.09 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.3 mt -63.54 -56.18 17.99 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.26 0.624 . . . . 0.0 111.192 173.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.63 -26.25 59.76 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.428 -0.795 . . . . 0.0 112.854 -171.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -52.23 -40.58 61.83 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.254 0.622 . . . . 0.0 110.554 -174.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -51.32 -27.37 9.42 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.485 1.114 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 tppm? -141.23 60.72 1.5 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 122.007 0.908 . . . . 0.0 109.38 168.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.26 3.7 p30 58.08 -58.2 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 128.682 2.793 . . . . 0.0 117.798 167.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -137.45 -0.23 2.21 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 125.771 1.628 . . . . 0.0 111.468 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -145.11 153.24 41.21 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 118.36 0.527 . . . . 0.0 109.583 -179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -94.97 117.32 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 C-N-CA 125.753 1.621 . . . . 0.0 107.467 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -78.81 148.58 32.85 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 170.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -39.69 -54.18 2.09 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -66.11 -32.84 74.53 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 120.821 -1.175 . . . . 0.0 111.289 -176.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -69.44 -40.22 77.34 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -55.24 -53.95 49.57 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.111 0.564 . . . . 0.0 110.15 170.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 31.9 mm -55.83 -54.33 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 118.229 0.468 . . . . 0.0 110.141 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 72.7 m -49.07 -51.82 29.22 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.9 0.88 . . . . 0.0 110.804 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -62.7 -42.0 99.42 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 119.198 -0.43 . . . . 0.0 110.863 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 70.6 mt -57.49 -35.04 69.7 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.504 1.047 . . . . 0.0 110.061 172.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.87 -51.49 57.84 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 168.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.04 -42.96 73.31 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.689 -0.889 . . . . 0.0 111.047 175.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.33 -44.77 96.64 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.438 1.095 . . . . 0.0 109.745 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.78 -45.18 86.35 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.165 0.586 . . . . 0.0 110.759 173.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 16.9 tpt -60.69 -43.23 98.01 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.093 -0.379 . . . . 0.0 111.293 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 71.3 mt -58.87 -44.08 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -73.32 54.46 0.43 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.379 0.672 . . . . 0.0 109.983 169.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -56.56 -32.6 65.33 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.336 -0.852 . . . . 0.0 112.698 -169.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -51.93 -39.82 59.77 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.067 0.547 . . . . 0.0 111.74 173.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.65 -39.91 95.37 Favored 'General case' 0 N--CA 1.458 -0.067 0 C-N-CA 123.118 0.567 . . . . 0.0 110.44 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.3 mt -64.89 -52.94 53.82 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -68.3 -37.19 80.39 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 117.302 -1.832 . . . . 0.0 110.463 177.703 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.3 mmm . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.63 -61.95 0.35 Allowed 'General case' 0 C--O 1.233 0.192 0 C-N-CA 130.505 3.522 . . . . 0.0 110.869 175.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.83 -53.54 4.62 Favored Pre-proline 0 N--CA 1.445 -0.706 0 C-N-CA 127.664 2.385 . . . . 0.0 113.036 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.84 -53.4 5.6 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.458 2.105 . . . . 0.0 112.826 -175.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -70.12 -44.94 67.92 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.002 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -53.59 -47.8 69.81 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 122.925 0.49 . . . . 0.0 111.092 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -62.68 -38.92 92.26 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.359 0.527 . . . . 0.0 110.839 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.07 -54.26 27.99 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 121.919 -0.488 . . . . 0.0 111.303 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.3 pt -57.9 -41.98 81.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-N 118.796 0.725 . . . . 0.0 109.104 175.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.0 -44.07 13.48 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 125.389 1.471 . . . . 0.0 112.444 169.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.94 -60.41 3.9 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.295 1.047 . . . . 0.0 109.901 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -52.11 -47.34 65.33 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.496 0.718 . . . . 0.0 110.245 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.4 mt -60.22 -54.53 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.187 0.995 . . . . 0.0 109.585 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.29 -55.26 22.79 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 125.077 1.323 . . . . 0.0 109.989 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.8 mt -50.8 -54.72 8.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 117.512 0.656 . . . . 0.0 109.53 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -57.49 -58.37 8.58 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.79 -174.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.72 -31.55 68.44 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 122.109 -0.369 . . . . 0.0 110.942 -171.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -58.98 -50.53 73.72 Favored 'General case' 0 CA--C 1.527 0.061 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 173.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.404 ' CZ ' ' HA ' ' A' ' 37' ' ' LEU . 3.0 m-85 -60.36 -46.21 90.75 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.406 175.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.1 t -54.95 -34.23 63.05 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.15 0.432 . . . . 0.0 110.66 175.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -41.95 -38.39 2.47 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 124.88 1.229 . . . . 0.0 112.921 171.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -64.9 -37.19 86.79 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 117.824 0.812 . . . . 0.0 111.91 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -94.15 -45.08 7.7 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.314 0.646 . . . . 0.0 111.276 -176.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.7 39.39 0.03 OUTLIER Glycine 0 CA--C 1.53 0.973 0 CA-C-O 118.942 -0.921 . . . . 0.0 114.184 171.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 42.51 69.66 0.36 Allowed 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.501 1.52 . . . . 0.0 113.385 169.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 ptpp? -147.75 172.38 14.19 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 121.777 -0.577 . . . . 0.0 110.337 -176.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -77.92 37.08 0.23 Allowed 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.23 -0.919 . . . . 0.0 111.709 -173.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.4 p -147.6 138.89 23.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.909 1.684 . . . . 0.0 108.72 -177.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.2 mt -116.43 140.27 49.54 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 168.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.9 t -78.19 154.39 31.16 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 120.339 1.427 . . . . 0.0 108.519 169.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -53.18 -41.5 65.3 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.569 0.748 . . . . 0.0 112.959 -172.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -70.97 -32.33 69.15 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.986 -1.072 . . . . 0.0 111.147 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -63.61 -43.76 95.96 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -54.82 -49.2 71.6 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.762 0.425 . . . . 0.0 110.084 171.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -52.62 -50.47 63.04 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.014 -1.054 . . . . 0.0 110.341 176.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -56.5 -39.78 73.88 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.059 0.944 . . . . 0.0 111.745 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.404 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 5.3 tt -57.38 -56.21 24.85 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 123.906 0.882 . . . . 0.0 109.854 171.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.9 mt -56.87 -43.37 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 119.115 -0.469 . . . . 0.0 110.785 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -53.97 -48.62 70.14 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 117.981 0.355 . . . . 0.0 110.318 -175.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -75.57 -59.07 2.91 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.221 0.534 . . . . 0.0 110.173 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -67.38 -37.69 83.57 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -166.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 mp -89.53 6.36 41.38 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.31 0.505 . . . . 0.0 110.836 172.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.6 p 47.11 63.64 1.87 Allowed 'General case' 0 C--N 1.342 0.254 0 C-N-CA 124.759 1.224 . . . . 0.0 110.27 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.4 tp -47.53 -60.19 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -168.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.94 -73.11 0.12 Allowed Glycine 0 CA--C 1.532 1.138 0 C-N-CA 123.888 0.756 . . . . 0.0 111.668 -173.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 p -75.0 69.51 1.93 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.718 1.607 . . . . 0.0 110.903 -175.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -49.43 -26.38 3.25 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.836 1.254 . . . . 0.0 113.15 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -48.54 -35.31 13.01 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.806 0.842 . . . . 0.0 111.688 173.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -73.15 3.66 5.35 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.661 0.784 . . . . 0.0 112.963 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -47.45 -38.73 14.15 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 119.302 0.955 . . . . 0.0 112.253 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.39 -49.47 54.36 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.482 0.583 . . . . 0.0 111.529 174.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.79 -43.21 96.99 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.3 mm -56.12 -45.65 80.75 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.806 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.256 17.1 m -72.24 -32.41 42.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 119.629 1.104 . . . . 0.0 112.259 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -58.56 -53.99 52.12 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.471 1.032 . . . . 0.0 109.128 169.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tt -54.73 -43.52 72.72 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.246 0.618 . . . . 0.0 111.142 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.1 ttp -59.28 -47.25 86.09 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 124.175 0.99 . . . . 0.0 109.148 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.07 -48.36 76.21 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -58.04 -47.13 84.03 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.349 0.26 . . . . 0.0 111.33 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mt -56.87 -64.58 0.83 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.61 0.719 . . . . 0.0 109.991 172.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -62.91 -19.3 64.07 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.637 1.175 . . . . 0.0 113.28 -170.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -43.28 -40.9 3.71 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 124.501 1.121 . . . . 0.0 111.695 174.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.39 -40.18 5.22 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 175.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -161.41 62.22 0.27 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.689 1.196 . . . . 0.0 109.391 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.292 49.3 p-10 26.26 -72.9 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 129.466 3.107 . . . . 0.0 118.167 177.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -80.18 -11.72 59.72 Favored 'General case' 0 C--O 1.238 0.463 0 O-C-N 121.084 -1.01 . . . . 0.0 112.776 -176.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -149.26 166.72 28.09 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.905 0.859 . . . . 0.0 113.144 -169.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 t -119.9 115.66 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 128.003 2.521 . . . . 0.0 106.895 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -78.76 147.33 33.4 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 172.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -43.9 -54.59 5.19 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.512 1.125 . . . . 0.0 113.638 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -53.82 -42.0 67.94 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.789 -0.569 . . . . 0.0 110.531 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -72.56 -39.71 67.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.379 1.072 . . . . 0.0 109.81 -175.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -53.11 -52.76 57.61 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.185 0.594 . . . . 0.0 109.819 169.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.1 mm -58.06 -50.72 77.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-N 118.25 0.477 . . . . 0.0 110.112 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.9 m -49.95 -47.98 52.29 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.467 0.707 . . . . 0.0 110.991 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -66.62 -44.09 83.01 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 119.054 -0.498 . . . . 0.0 110.767 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.6 mt -55.6 -36.53 67.03 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.48 1.036 . . . . 0.0 109.998 174.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.45 -53.46 41.0 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 168.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.86 -46.82 68.03 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 117.872 0.836 . . . . 0.0 111.281 174.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.2 tp -57.68 -45.48 85.55 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.525 1.13 . . . . 0.0 110.046 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.02 96.36 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.828 0.451 . . . . 0.0 111.044 175.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.1 tmm? -56.98 -46.83 81.95 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 122.1 -0.375 . . . . 0.0 109.997 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.94 -43.58 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 125.2 1.4 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -50.71 -54.8 20.26 Favored 'General case' 0 C--N 1.342 0.25 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 171.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 68.94 -54.58 0.56 Allowed 'General case' 0 CA--C 1.527 0.078 0 C-N-CA 126.976 2.11 . . . . 0.0 113.992 171.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -49.89 -42.01 46.98 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.854 0.862 . . . . 0.0 110.039 173.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.35 -44.04 61.96 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.478 0.711 . . . . 0.0 111.632 172.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 21.9 mt -65.49 -48.69 71.72 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -53.52 -43.71 68.54 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 122.14 0.176 . . . . 0.0 110.984 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.162 0 CA-C-O 117.183 -1.898 . . . . 0.0 111.225 173.802 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 111.242 0.09 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.78 6.22 0.84 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.936 1.694 . . . . 0.0 114.592 176.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -51.44 -45.67 90.28 Favored Pre-proline 0 N--CA 1.446 -0.65 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -169.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -58.05 -41.79 64.45 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.943 1.762 . . . . 0.0 113.893 -173.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 60.2 tp -80.05 -46.97 15.61 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.5 -35.22 69.95 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 119.409 -0.329 . . . . 0.0 111.709 -170.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -62.44 -40.72 97.48 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.652 0.66 . . . . 0.0 111.783 173.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.01 -51.4 39.58 Favored 'General case' 0 CA--C 1.519 -0.239 0 O-C-N 121.631 -0.668 . . . . 0.0 110.402 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 pt -56.79 -44.89 82.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 118.915 -1.114 . . . . 0.0 108.222 172.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.44 -44.48 5.16 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.726 1.155 . . . . 0.0 112.651 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -62.09 2.02 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 117.979 0.89 . . . . 0.0 110.624 177.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -49.57 -49.73 45.27 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.08 0.952 . . . . 0.0 109.747 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.76 -50.75 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.295 -176.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.85 -54.78 32.78 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.8 mt -49.84 -54.82 6.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -57.27 -62.51 1.71 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 120.957 0.408 . . . . 0.0 111.671 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.89 -30.69 69.24 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.642 -0.661 . . . . 0.0 111.7 -168.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -60.12 -47.24 86.73 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.777 0.717 . . . . 0.0 109.458 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -58.59 -46.56 86.71 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 118.398 -0.81 . . . . 0.0 111.338 174.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.5 p -50.51 -48.71 56.89 Favored 'General case' 0 C--N 1.341 0.206 0 CA-C-N 118.829 0.741 . . . . 0.0 109.678 177.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -37.22 -37.19 0.26 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.973 1.749 . . . . 0.0 114.531 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -56.61 -46.63 80.79 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.347 1.074 . . . . 0.0 111.876 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -90.31 -40.6 12.02 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.722 0.809 . . . . 0.0 110.031 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.47 139.05 2.68 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 107.344 -2.303 . . . . 0.0 107.344 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -67.54 100.87 0.92 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.02 0.91 . . . . 0.0 109.584 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -164.9 166.3 19.65 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 118.498 0.59 . . . . 0.0 110.412 -177.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -75.81 34.14 0.12 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.008 0.923 . . . . 0.0 112.949 -169.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 37.6 p -149.18 134.73 18.58 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.59 1.156 . . . . 0.0 109.9 -172.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 58.3 mt -110.23 146.59 35.35 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 168.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.2 p -78.44 155.82 29.71 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.429 1.013 . . . . 0.0 108.877 168.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -57.64 -42.13 82.79 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.467 -0.771 . . . . 0.0 112.579 -173.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -67.8 -37.52 82.12 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.774 -1.204 . . . . 0.0 110.729 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.0 -40.37 88.99 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.496 -0.753 . . . . 0.0 110.346 175.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -54.81 -49.03 71.99 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 170.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -54.11 -40.61 67.47 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.092 -1.005 . . . . 0.0 111.349 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.3 -47.87 82.37 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 122.225 0.21 . . . . 0.0 110.534 176.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 tt -50.39 -52.02 41.05 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 124.052 0.941 . . . . 0.0 109.715 175.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 39.8 mt -59.75 -52.32 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 122.59 0.356 . . . . 0.0 110.506 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -61.13 -28.55 69.18 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -76.34 -62.47 1.61 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.577 0.626 . . . . 0.0 111.173 170.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -66.54 -56.92 8.56 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.583 0.353 . . . . 0.0 110.802 -170.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 89.4 mt -88.51 -37.68 15.56 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 123.024 0.53 . . . . 0.0 110.272 -171.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.7 p 68.56 179.51 0.24 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.573 1.549 . . . . 0.0 110.723 -172.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 31.3 mt -141.98 -58.8 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.099 0 C-N-CA 123.739 0.816 . . . . 0.0 109.009 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.47 -67.45 1.25 Allowed Glycine 0 CA--C 1.529 0.907 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 -169.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.6 m -70.87 71.7 0.53 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.745 1.218 . . . . 0.0 110.685 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -52.05 -21.32 3.06 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.25 1.02 . . . . 0.0 113.553 -177.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -46.1 -37.61 7.05 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.037 0.935 . . . . 0.0 111.598 169.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -70.04 -1.87 11.09 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -47.34 -38.83 13.63 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.336 0.971 . . . . 0.0 112.304 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.45 -48.92 56.32 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.044 0.537 . . . . 0.0 111.425 173.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -64.06 -41.7 97.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 42.7 mm -57.64 -46.18 86.5 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 CA-C-O 118.656 -0.687 . . . . 0.0 110.794 177.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.9 m -70.03 -34.3 59.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 119.827 1.194 . . . . 0.0 112.078 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -58.64 -52.8 64.12 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.839 0.745 . . . . 0.0 109.71 171.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tt -55.72 -44.79 77.82 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.016 0.927 . . . . 0.0 111.059 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 39.7 ttp -56.08 -51.31 68.31 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.341 1.056 . . . . 0.0 109.021 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -54.39 -50.55 67.27 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -60.2 -26.7 66.58 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.22 -60.99 1.98 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.755 0.707 . . . . 0.0 110.445 169.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -67.29 -31.4 71.69 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -170.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 12.1 ptt85 -60.05 -31.13 69.7 Favored 'General case' 0 C--N 1.339 0.133 0 CA-C-N 118.947 0.794 . . . . 0.0 111.724 -169.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -62.69 -23.14 66.98 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.775 0.43 . . . . 0.0 110.937 -178.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -105.11 -65.34 1.05 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.453 1.101 . . . . 0.0 108.836 173.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -178.05 -84.75 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.676 1.591 . . . . 0.0 110.222 173.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -136.69 16.79 3.1 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.8 1.64 . . . . 0.0 111.151 -178.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -134.65 153.18 52.1 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 104.309 -2.478 . . . . 0.0 104.309 168.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 9.5 t -94.15 107.47 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -78.76 148.83 32.83 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -46.36 -57.25 4.79 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.872 1.269 . . . . 0.0 114.058 -169.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -61.9 -37.02 83.02 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 119.247 -0.981 . . . . 0.0 110.561 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -64.93 -41.39 95.57 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.18 0.592 . . . . 0.0 110.061 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -52.48 -55.52 21.42 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.004 0.365 . . . . 0.0 110.445 170.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 20.8 mm -56.26 -51.34 64.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 120.979 0.418 . . . . 0.0 110.038 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 75.2 m -52.67 -50.41 63.31 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 124.264 1.026 . . . . 0.0 110.202 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -62.03 -43.53 98.64 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 119.144 -0.455 . . . . 0.0 110.777 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 74.2 mt -56.14 -37.06 68.98 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.29 0.95 . . . . 0.0 110.128 173.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.18 -48.87 76.63 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 169.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.83 -48.96 76.83 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.259 1.03 . . . . 0.0 110.855 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.2 tp -53.84 -49.34 68.66 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.178 1.391 . . . . 0.0 109.506 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.14 -43.32 92.0 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.755 0.822 . . . . 0.0 111.305 176.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 22.5 ttt -64.62 -41.46 96.18 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.097 0.559 . . . . 0.0 110.638 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 72.2 mt -59.6 -42.29 87.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 173.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -73.26 56.43 0.47 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.113 0.565 . . . . 0.0 111.207 170.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -47.65 -38.12 14.19 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.399 1.48 . . . . 0.0 111.57 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -48.21 -46.26 34.93 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.136 0.974 . . . . 0.0 111.359 174.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.75 -41.29 98.05 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 117.994 0.361 . . . . 0.0 110.61 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 9.5 mt -65.14 -49.33 70.31 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.015 0.526 . . . . 0.0 110.257 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -47.81 75.07 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.8 0.44 . . . . 0.0 110.955 175.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.228 0 CA-C-O 117.03 -1.984 . . . . 0.0 111.448 -179.073 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.66 -27.59 55.67 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -168.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -46.43 -50.72 39.0 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 117.392 -1.289 . . . . 0.0 114.235 -169.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.53 -53.98 5.95 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 123.317 2.678 . . . . 0.0 112.611 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.5 tp -66.1 -46.55 77.22 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 121.314 -0.866 . . . . 0.0 109.817 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -52.39 -50.46 62.43 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 122.535 0.334 . . . . 0.0 110.814 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -61.66 -39.05 89.98 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.194 0.452 . . . . 0.0 110.863 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.49 -55.22 22.12 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.807 -0.558 . . . . 0.0 111.799 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.8 pt -57.32 -42.42 80.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 118.899 0.772 . . . . 0.0 108.945 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.73 -43.74 16.44 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 125.682 1.61 . . . . 0.0 112.739 170.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.5 -60.5 3.7 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.464 1.132 . . . . 0.0 109.657 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -52.08 -48.67 64.57 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.872 0.869 . . . . 0.0 110.152 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.4 -51.81 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -177.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.12 -51.25 58.56 Favored Glycine 0 CA--C 1.522 0.507 0 C-N-CA 124.698 1.142 . . . . 0.0 110.308 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mt -52.13 -57.6 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -55.57 -52.53 63.42 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 120.933 0.397 . . . . 0.0 111.142 -174.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -74.66 -25.66 59.34 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 118.698 -0.668 . . . . 0.0 112.082 -172.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -60.06 -57.56 12.31 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 169.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -63.11 -39.59 95.14 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.882 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 m -62.27 -55.36 29.08 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 174.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -43.41 -44.04 6.28 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 125.491 1.52 . . . . 0.0 112.201 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -46.97 -46.48 21.61 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.373 0.669 . . . . 0.0 112.316 175.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -90.16 -34.77 15.72 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.247 0.619 . . . . 0.0 111.534 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.03 155.36 13.44 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 174.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -75.62 64.58 1.7 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.982 0.913 . . . . 0.0 110.603 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -131.88 145.11 51.33 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.713 1.605 . . . . 0.0 107.957 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -80.72 48.91 1.12 Allowed 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.633 -0.667 . . . . 0.0 110.954 -174.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.0 p -152.3 126.45 9.19 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.6 1.16 . . . . 0.0 110.181 -169.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.3 mt -97.41 135.28 39.52 Favored 'General case' 0 C--O 1.227 -0.12 0 O-C-N 123.862 0.726 . . . . 0.0 110.352 174.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.7 m -78.09 151.81 33.2 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 168.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -54.23 -47.04 72.64 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -168.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -69.1 -31.28 69.88 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.345 -0.847 . . . . 0.0 111.158 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.63 -43.8 92.54 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 173.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -55.29 -48.18 74.44 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.685 0.394 . . . . 0.0 110.158 171.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -55.53 -42.99 75.34 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 120.354 -1.466 . . . . 0.0 111.196 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.56 -46.23 89.51 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 122.585 0.354 . . . . 0.0 110.228 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tt -51.43 -54.29 28.36 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 123.867 0.867 . . . . 0.0 109.497 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.2 mt -62.14 -55.41 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.646 -175.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -53.32 -42.24 66.49 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 118.75 -0.643 . . . . 0.0 111.368 -176.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -74.89 -58.95 2.97 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.136 -0.625 . . . . 0.0 110.881 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -68.58 -46.69 68.73 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 122.041 -0.412 . . . . 0.0 111.829 -167.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -75.14 -10.37 59.4 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.9 t 44.26 53.07 6.92 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 126.235 1.814 . . . . 0.0 111.154 176.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.7 pt -61.55 -35.51 67.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.835 -169.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.54 -63.22 1.86 Allowed Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -177.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.8 m -67.44 72.37 0.13 Allowed 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 126.281 1.832 . . . . 0.0 112.513 -176.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -53.51 -21.79 6.99 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.323 1.049 . . . . 0.0 112.941 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.4 mt -47.2 -34.43 6.36 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.61 0.764 . . . . 0.0 111.846 170.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -72.83 5.23 3.36 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -46.65 -41.4 14.73 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 119.449 1.022 . . . . 0.0 112.2 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.81 -48.27 59.74 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.248 0.547 . . . . 0.0 111.362 174.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -65.08 -42.47 94.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 42.1 mm -56.68 -47.89 81.67 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.583 176.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.6 m -68.15 -36.04 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 120.054 1.297 . . . . 0.0 112.061 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -57.56 -51.2 70.45 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.683 1.129 . . . . 0.0 109.934 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 tt -57.49 -44.59 85.08 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.28 0.632 . . . . 0.0 111.32 177.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -38.74 92.29 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.533 -0.729 . . . . 0.0 109.814 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.61 -46.57 89.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 172.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -56.54 -48.92 76.25 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.354 0.524 . . . . 0.0 111.102 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mt -52.19 -62.45 1.63 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.439 0.695 . . . . 0.0 109.553 172.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -68.33 -19.92 64.69 Favored 'General case' 0 C--O 1.225 -0.187 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -171.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -52.93 -32.26 44.61 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.182 0.901 . . . . 0.0 110.506 172.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.97 -23.15 55.32 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 119.307 -0.377 . . . . 0.0 112.007 178.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -165.43 91.93 0.53 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.117 1.367 . . . . 0.0 108.242 -177.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -62.18 -36.11 80.9 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -168.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -64.28 -57.73 8.58 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.472 0.654 . . . . 0.0 111.123 -169.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -160.87 132.99 5.93 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.5 m -77.77 117.67 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -168.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -78.97 149.53 32.24 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.298 -175.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -41.17 -51.11 3.51 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.758 1.223 . . . . 0.0 113.843 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -58.71 -47.35 84.86 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.452 -0.78 . . . . 0.0 109.984 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -66.38 -37.98 86.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.66 0.384 . . . . 0.0 110.145 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -54.22 -54.37 40.82 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.95 0.5 . . . . 0.0 110.625 170.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.9 mm -58.23 -48.47 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 118.914 0.779 . . . . 0.0 110.267 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.0 m -50.69 -51.78 46.25 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.259 0.624 . . . . 0.0 110.004 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.22 -43.48 98.8 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 122.991 0.516 . . . . 0.0 110.793 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.06 -33.05 68.62 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.134 0.879 . . . . 0.0 110.813 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.43 -50.08 67.84 Favored Glycine 0 CA--C 1.532 1.12 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 168.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.84 66.62 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 122.274 -0.545 . . . . 0.0 110.479 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.0 tp -53.45 -46.52 69.92 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.043 1.337 . . . . 0.0 110.356 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.3 -52.53 64.96 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.213 0.605 . . . . 0.0 110.667 177.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . 0.289 3.6 ppp? -67.12 -25.9 66.42 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 119.511 -0.876 . . . . 0.0 112.427 177.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 mp -59.09 -43.18 88.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 168.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -74.72 51.52 0.48 Allowed 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.605 -0.685 . . . . 0.0 110.668 169.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -44.79 -42.91 8.21 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 126.397 1.879 . . . . 0.0 112.639 -173.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -53.37 -37.17 62.15 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.27 0.628 . . . . 0.0 111.815 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.14 -35.49 77.24 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.001 0.52 . . . . 0.0 111.396 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.0 mp -81.64 -44.29 17.39 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -58.33 -45.4 88.19 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 122.094 -0.379 . . . . 0.0 110.893 174.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.178 0 CA-C-O 116.919 -2.045 . . . . 0.0 110.458 179.435 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.8 ttt . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 73.16 -28.11 0.19 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.946 1.698 . . . . 0.0 115.045 171.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -37.59 -56.45 1.75 Allowed Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 127.664 2.386 . . . . 0.0 115.261 -175.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -64.12 -32.01 64.17 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 CA-C-N 121.293 1.498 . . . . 0.0 113.839 -170.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.1 tp -81.76 -47.44 12.89 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.925 0.784 . . . . 0.0 109.397 169.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -50.16 -42.27 50.62 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 123.867 0.867 . . . . 0.0 111.846 -174.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -53.92 -44.16 70.35 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.361 0.528 . . . . 0.0 111.568 175.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.85 -53.18 19.27 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.737 -0.602 . . . . 0.0 110.71 -173.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 40.2 pt -57.29 -40.51 74.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 173.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.84 -42.03 28.75 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 125.821 1.676 . . . . 0.0 111.968 171.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -59.52 5.28 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.141 0.971 . . . . 0.0 109.932 176.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -50.72 -47.13 59.29 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.34 0.656 . . . . 0.0 110.326 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.1 mt -61.02 -53.1 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.858 0.863 . . . . 0.0 109.588 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.4 -51.25 48.8 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 124.932 1.253 . . . . 0.0 110.702 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 mt -52.88 -60.95 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 175.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -50.14 -54.9 17.54 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 121.05 0.453 . . . . 0.0 111.333 -174.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -72.62 -25.93 61.49 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.154 0.582 . . . . 0.0 112.399 -174.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -64.07 -50.0 70.09 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.459 1.027 . . . . 0.0 108.71 169.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -64.97 -42.34 94.65 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.878 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 51.6 p -63.46 -44.74 93.61 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 119.621 1.1 . . . . 0.0 108.784 172.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -37.86 -53.01 2.01 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 126.415 1.96 . . . . 0.0 112.423 170.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -48.49 -35.86 13.97 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.084 0.954 . . . . 0.0 112.385 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -115.6 32.53 6.02 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.312 1.445 . . . . 0.0 111.316 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.32 110.88 0.94 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -57.59 125.25 22.08 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 123.46 0.704 . . . . 0.0 110.949 -174.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -159.78 174.68 14.12 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.96 0.904 . . . . 0.0 108.997 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -86.7 20.27 2.6 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.258 1.023 . . . . 0.0 111.91 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 69.0 p -134.33 158.41 43.88 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.317 1.447 . . . . 0.0 109.269 176.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 52.9 mt -123.75 141.59 51.88 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 169.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 18.3 t -76.28 146.93 38.59 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 169.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.33 -36.06 63.37 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -172.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -77.4 -30.62 53.67 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.046 -1.034 . . . . 0.0 111.029 176.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.7 -42.5 97.95 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.266 -0.896 . . . . 0.0 108.672 171.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -54.54 -49.46 70.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 170.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -51.81 -46.2 64.17 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.837 1.199 . . . . 0.0 111.062 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.1 -50.17 71.8 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 tt -49.02 -54.48 15.55 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 124.385 1.074 . . . . 0.0 110.542 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -59.76 -58.57 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -56.87 -35.82 69.36 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.469 0.577 . . . . 0.0 110.955 -174.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -79.86 -44.99 19.47 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -76.07 -68.67 0.56 Allowed 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 176.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 66.0 mt -79.77 75.2 6.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -177.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 44.2 p -67.22 74.6 0.13 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.513 1.125 . . . . 0.0 110.275 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 11.0 pt -58.05 -38.67 68.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 124.12 0.968 . . . . 0.0 111.985 -178.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.18 -48.66 2.81 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.1 p -68.67 70.35 0.18 Allowed 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 125.561 1.544 . . . . 0.0 111.041 175.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -53.45 -21.73 6.64 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.722 1.209 . . . . 0.0 113.464 -177.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -50.36 -38.11 40.58 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.202 -0.936 . . . . 0.0 110.896 171.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -70.34 -3.18 16.12 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.601 0.76 . . . . 0.0 112.806 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -52.55 -32.24 39.83 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 119.579 1.082 . . . . 0.0 111.411 176.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.86 -50.18 64.3 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.51 0.671 . . . . 0.0 111.08 170.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -63.93 -42.06 97.46 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 33.9 mm -56.55 -45.2 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.853 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.279 13.7 m -67.17 -37.09 78.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 120.242 1.383 . . . . 0.0 112.369 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -58.54 -51.48 69.71 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.144 0.884 . . . . 0.0 110.221 172.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 tt -56.76 -43.88 81.21 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.631 -0.668 . . . . 0.0 111.181 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -59.95 -44.46 94.4 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 124.355 1.062 . . . . 0.0 110.078 177.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -57.39 -48.98 77.64 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 173.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -58.84 -44.14 90.88 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 122.097 -0.377 . . . . 0.0 111.544 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mt -58.89 -57.09 14.58 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.423 0.63 . . . . 0.0 110.016 171.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.25 -16.51 64.08 Favored 'General case' 0 N--CA 1.458 -0.048 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 -172.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -32.11 -43.27 0.07 Allowed 'General case' 0 C--N 1.342 0.264 0 C-N-CA 125.864 1.665 . . . . 0.0 110.404 168.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -27.01 -67.92 0.05 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.334 1.854 . . . . 0.0 113.568 167.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -155.2 48.56 0.54 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.372 1.469 . . . . 0.0 110.252 -177.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 p30 48.33 -75.79 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 128.187 2.595 . . . . 0.0 114.946 169.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -56.36 -41.22 75.81 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.557 1.143 . . . . 0.0 110.411 171.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -134.92 152.66 51.94 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -169.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 4.8 t -93.75 148.58 4.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 127.708 2.403 . . . . 0.0 106.426 168.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.38 152.68 25.96 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 119.382 0.992 . . . . 0.0 110.02 170.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -42.15 -54.98 3.43 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.099 1.36 . . . . 0.0 113.625 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -58.95 -46.89 86.91 Favored 'General case' 0 N--CA 1.457 -0.079 0 O-C-N 121.637 -0.664 . . . . 0.0 109.951 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -63.45 -42.29 98.65 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -52.74 -54.95 26.57 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.082 0.553 . . . . 0.0 111.077 173.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 33.1 mm -58.53 -51.57 70.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 119.27 0.941 . . . . 0.0 110.373 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 37.4 m -53.15 -48.07 68.24 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.63 0.728 . . . . 0.0 110.001 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -62.7 -43.57 98.46 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 123.88 0.872 . . . . 0.0 110.409 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 71.2 mt -56.86 -33.5 66.89 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.363 0.983 . . . . 0.0 110.449 173.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.47 -50.71 64.14 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 169.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.55 75.57 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.612 -0.934 . . . . 0.0 111.136 173.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 tp -61.9 -43.25 99.24 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.884 0.874 . . . . 0.0 110.2 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.48 -44.7 76.74 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.247 0.619 . . . . 0.0 110.415 171.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 63.0 mtm -64.4 -38.26 90.41 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 175.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.99 -42.21 92.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -74.71 53.61 0.58 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.636 0.774 . . . . 0.0 109.313 169.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -51.34 -39.33 56.78 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 125.332 1.453 . . . . 0.0 113.555 -167.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -44.37 -45.51 8.92 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.109 0.964 . . . . 0.0 111.125 174.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.26 -33.46 67.62 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.463 0.705 . . . . 0.0 111.966 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 45.6 mt -62.59 -40.86 98.25 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.19 0.45 . . . . 0.0 109.926 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -76.87 -46.57 24.13 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 116.978 -2.012 . . . . 0.0 109.576 177.139 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtm . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.3 -56.29 0.6 Allowed 'General case' 0 C--O 1.234 0.245 0 C-N-CA 127.142 2.177 . . . . 0.0 111.028 -172.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -42.07 -48.25 11.21 Favored Pre-proline 0 N--CA 1.452 -0.329 0 C-N-CA 125.493 1.517 . . . . 0.0 113.445 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -53.7 -45.92 37.51 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 122.657 2.238 . . . . 0.0 112.625 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.9 tp -73.53 -46.31 48.46 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 120.071 -0.652 . . . . 0.0 109.247 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -51.87 -48.47 64.03 Favored 'General case' 0 CA--C 1.527 0.067 0 C-N-CA 123.204 0.602 . . . . 0.0 110.666 -176.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -61.74 -38.52 88.27 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 117.929 0.331 . . . . 0.0 111.087 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.97 -53.9 27.12 Favored 'General case' 0 N--CA 1.455 -0.195 0 O-C-N 121.736 -0.603 . . . . 0.0 111.194 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.8 pt -57.38 -44.68 84.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 174.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.13 -42.05 16.04 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 125.604 1.573 . . . . 0.0 112.35 172.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -60.39 3.85 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.963 0.905 . . . . 0.0 109.932 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -51.79 -47.0 64.42 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.243 0.617 . . . . 0.0 110.184 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.6 mt -60.29 -53.32 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.394 0.678 . . . . 0.0 109.716 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.81 -50.35 61.47 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 125.068 1.318 . . . . 0.0 110.224 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.1 mt -50.96 -61.71 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -50.66 -53.63 29.51 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 121.255 0.55 . . . . 0.0 111.452 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -75.21 -24.52 57.76 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.972 -0.537 . . . . 0.0 111.834 -171.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -63.06 -53.73 49.21 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.243 0.928 . . . . 0.0 109.073 169.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -63.1 -39.6 95.19 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 122.205 -0.309 . . . . 0.0 111.332 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -59.68 -48.45 81.64 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 172.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -42.78 -47.4 6.09 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 125.839 1.685 . . . . 0.0 112.206 174.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -49.5 -37.72 27.52 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.17 0.588 . . . . 0.0 112.36 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -109.9 30.54 6.61 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.525 1.13 . . . . 0.0 111.274 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.23 116.35 0.48 Allowed Glycine 0 CA--C 1.529 0.909 0 N-CA-C 109.619 -1.393 . . . . 0.0 109.619 -175.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.37 134.88 57.08 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 117.845 0.822 . . . . 0.0 111.647 -173.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -169.99 161.22 8.67 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 126.429 1.892 . . . . 0.0 106.061 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -79.6 33.29 0.25 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.094 0.861 . . . . 0.0 112.199 -174.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.7 p -148.32 118.49 7.27 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 125.516 1.526 . . . . 0.0 109.393 -174.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.8 mt -90.03 143.49 26.73 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 169.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.3 p -78.63 157.34 28.71 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 168.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -51.35 -47.04 62.88 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.259 0.552 . . . . 0.0 111.738 -176.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -73.51 -34.15 65.12 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.545 -0.722 . . . . 0.0 110.884 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.52 -44.81 95.45 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 121.741 -0.599 . . . . 0.0 109.809 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -54.09 -48.96 70.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 170.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -55.19 -44.86 75.69 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 120.911 -1.118 . . . . 0.0 110.636 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.99 -51.55 65.86 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.388 0.675 . . . . 0.0 110.431 175.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -44.33 -53.27 6.91 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 124.685 1.194 . . . . 0.0 110.197 171.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 54.8 mt -65.76 -44.46 93.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 O-C-N 121.685 -0.635 . . . . 0.0 111.787 -177.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -59.82 -43.81 94.34 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.607 -0.683 . . . . 0.0 110.606 178.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -80.11 -38.48 31.5 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.981 -0.449 . . . . 0.0 111.915 -173.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -80.14 -61.21 2.05 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 122.791 0.436 . . . . 0.0 110.62 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.9 mt -80.64 -45.96 16.41 Favored 'General case' 0 N--CA 1.463 0.181 0 O-C-N 121.589 -0.694 . . . . 0.0 110.294 -169.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m 60.87 55.82 3.07 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.286 0.565 . . . . 0.0 111.767 170.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.61 119.25 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 121.736 -0.602 . . . . 0.0 109.827 174.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.02 -31.52 66.7 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.5 t -70.69 75.53 0.6 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.286 1.035 . . . . 0.0 109.833 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -61.87 -21.33 64.6 Favored 'General case' 0 N--CA 1.461 0.125 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -172.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tt -45.9 -39.96 9.44 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.29 0.636 . . . . 0.0 110.256 168.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -77.16 4.51 10.22 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.724 0.809 . . . . 0.0 112.503 -176.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -48.24 -42.51 30.57 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 119.455 1.025 . . . . 0.0 110.801 170.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.53 -47.56 57.5 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.557 0.743 . . . . 0.0 111.285 173.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -64.22 -42.23 96.67 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.9 mm -56.63 -48.81 80.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.422 175.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.256 14.6 m -69.42 -31.99 51.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 119.846 1.203 . . . . 0.0 112.369 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -58.81 -53.11 62.07 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.205 0.911 . . . . 0.0 109.748 169.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.93 -44.18 74.04 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.222 1.009 . . . . 0.0 111.038 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.1 ttp -57.77 -49.84 75.25 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.443 1.097 . . . . 0.0 108.616 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -56.38 -48.04 77.69 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -56.03 -47.33 78.04 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.886 0.474 . . . . 0.0 111.523 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.33 -62.58 1.67 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.014 0.526 . . . . 0.0 110.017 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.1 -19.78 65.69 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -171.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -34.97 -53.44 0.57 Allowed 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 126.468 1.907 . . . . 0.0 110.949 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.92 -38.24 0.93 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.932 1.293 . . . . 0.0 113.504 -178.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -147.16 59.13 1.17 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 13.61 82.93 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.653 2.381 . . . . 0.0 114.33 171.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 104.51 -15.43 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 128.703 2.801 . . . . 0.0 113.288 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -117.07 137.96 51.93 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.983 0.913 . . . . 0.0 109.619 172.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.8 p -107.86 112.65 41.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 123.218 0.607 . . . . 0.0 109.47 168.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -79.48 150.95 31.06 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.185 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -45.74 -50.73 13.54 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.498 1.119 . . . . 0.0 113.794 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -60.67 -41.06 94.3 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.371 -0.831 . . . . 0.0 110.586 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -74.99 -34.1 61.93 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.927 0.491 . . . . 0.0 110.872 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -55.68 -53.97 49.99 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 169.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.7 mm -56.06 -52.43 50.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.0 m -49.94 -51.59 39.97 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.607 0.363 . . . . 0.0 111.106 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.96 -42.97 99.72 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.717 0.407 . . . . 0.0 110.871 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.4 mt -57.07 -36.58 70.71 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.193 0.906 . . . . 0.0 110.102 173.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.66 -50.18 64.99 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 168.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.28 -44.25 79.6 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.21 1.005 . . . . 0.0 111.395 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 tp -58.59 -47.87 82.85 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.331 1.053 . . . . 0.0 109.517 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.14 -42.45 90.72 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.436 0.694 . . . . 0.0 111.223 175.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -61.09 -46.26 91.34 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.036 0.535 . . . . 0.0 110.265 176.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.32 -42.95 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -72.13 55.56 0.31 Allowed 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.944 -0.473 . . . . 0.0 110.721 170.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.28 -34.93 66.93 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.049 -1.032 . . . . 0.0 111.336 -170.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -48.43 -44.53 35.33 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.197 0.999 . . . . 0.0 110.918 173.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.65 81.35 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.108 0.563 . . . . 0.0 111.025 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.0 mt -59.57 -50.86 72.27 Favored 'General case' 0 C--N 1.339 0.139 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -69.29 -34.47 74.76 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 111.44 0.163 . . . . 0.0 111.44 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 117.183 -1.899 . . . . 0.0 113.61 -177.431 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.6 mmt . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 120.422 0.153 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.06 -28.38 67.75 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -169.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.97 -51.57 5.63 Favored Pre-proline 0 CA--C 1.539 0.534 0 C-N-CA 125.949 1.7 . . . . 0.0 115.402 -170.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.91 -35.62 98.29 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.129 2.553 . . . . 0.0 112.224 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.5 tp -78.79 -46.41 18.86 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.917 0.78 . . . . 0.0 109.308 175.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -49.61 -49.91 44.97 Favored 'General case' 0 C--N 1.339 0.14 0 C-N-CA 123.139 0.576 . . . . 0.0 110.761 -177.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -59.15 -39.23 81.81 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 111.399 0.148 . . . . 0.0 111.399 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.14 -53.07 27.84 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.901 -0.499 . . . . 0.0 110.766 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 36.7 pt -57.59 -43.93 84.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 176.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.07 -47.37 15.11 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 125.492 1.52 . . . . 0.0 112.462 170.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -60.69 3.17 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.85 0.86 . . . . 0.0 110.225 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -51.85 -46.46 64.4 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 123.476 0.71 . . . . 0.0 110.109 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 62.8 mt -59.48 -51.76 68.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 122.607 0.363 . . . . 0.0 110.381 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.55 -54.63 34.76 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.0 mt -49.09 -42.44 14.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 123.166 0.586 . . . . 0.0 110.656 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -66.13 -66.33 0.56 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.659 0.742 . . . . 0.0 111.433 176.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -66.25 -24.22 66.55 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -166.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -52.48 -46.56 66.6 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.886 0.766 . . . . 0.0 109.794 169.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -80.51 -40.34 26.23 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 118.708 -0.663 . . . . 0.0 110.191 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.9 m -50.17 -41.74 49.79 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.989 0.813 . . . . 0.0 110.879 169.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -43.72 -35.24 3.04 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.226 0.917 . . . . 0.0 113.582 173.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -58.5 -48.59 80.31 Favored 'General case' 0 C--N 1.34 0.196 0 CA-C-N 118.591 1.195 . . . . 0.0 110.187 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -82.35 52.83 2.13 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.648 0.737 . . . . 0.0 109.174 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.48 -65.04 1.73 Allowed Glycine 0 CA--C 1.528 0.878 0 C-N-CA 124.967 1.27 . . . . 0.0 112.479 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -166.51 -113.8 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 -173.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 83.6 mttt 69.76 156.41 0.14 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.205 1.802 . . . . 0.0 113.097 171.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -96.4 33.45 1.79 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.407 0.683 . . . . 0.0 109.54 170.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 40.9 p -128.85 164.37 23.23 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.634 1.574 . . . . 0.0 108.923 -177.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 tt -149.85 119.94 7.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.2 p -77.91 167.38 21.59 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.634 0.652 . . . . 0.0 112.184 -169.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -58.07 -56.2 25.11 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -168.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -80.21 -24.52 40.17 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 121.251 -0.906 . . . . 0.0 110.827 -178.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -60.06 -44.23 94.85 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.458 0.703 . . . . 0.0 109.343 170.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -56.61 -50.18 72.74 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 171.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -53.87 -45.0 70.89 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.453 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -56.74 -48.83 76.93 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.049 0.54 . . . . 0.0 110.994 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 tt -49.14 -53.62 20.05 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 123.189 0.596 . . . . 0.0 109.492 174.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.7 mt -60.68 -53.78 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 O-C-N 121.741 -0.599 . . . . 0.0 110.327 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -49.62 -47.32 49.79 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 119.004 -0.522 . . . . 0.0 110.709 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -79.76 -50.69 10.2 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.5 -177.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -75.25 -42.99 53.9 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.235 0.47 . . . . 0.0 111.811 -169.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -77.85 -24.24 48.66 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 174.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.6 m 62.84 55.73 2.01 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.809 0.814 . . . . 0.0 109.519 171.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 19.5 tt -70.08 81.6 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 123.491 0.717 . . . . 0.0 111.274 -172.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -35.44 115.03 0.19 Allowed Glycine 0 CA--C 1.53 0.984 0 C-N-CA 126.181 1.848 . . . . 0.0 112.551 175.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m 58.0 19.53 5.99 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.987 1.315 . . . . 0.0 113.943 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 60.0 mttp 53.93 28.22 8.28 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.727 1.211 . . . . 0.0 112.957 171.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 93.0 mt -56.3 -45.38 80.24 Favored 'General case' 0 N--CA 1.461 0.106 0 O-C-N 121.391 -0.818 . . . . 0.0 112.196 -169.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -96.23 26.62 4.15 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.023 0.529 . . . . 0.0 111.559 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -53.64 -39.78 65.29 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.975 0.807 . . . . 0.0 112.461 -175.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.28 -47.75 65.7 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.271 0.557 . . . . 0.0 110.942 174.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -63.18 -43.65 97.64 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 23.3 mm -56.32 -45.79 81.49 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.371 176.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.273 12.5 m -69.65 -35.18 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-N 120.505 1.502 . . . . 0.0 112.732 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -58.92 -51.84 68.33 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.601 1.092 . . . . 0.0 110.017 171.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.64 -45.13 73.71 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.442 1.097 . . . . 0.0 110.936 176.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -61.63 -44.74 96.41 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.786 0.835 . . . . 0.0 109.266 177.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -54.64 -50.38 68.28 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 175.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -56.82 -52.87 63.39 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.824 -0.548 . . . . 0.0 110.84 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.39 -58.85 5.4 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.621 0.769 . . . . 0.0 111.137 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.48 -30.87 64.92 Favored 'General case' 0 N--CA 1.457 -0.081 0 O-C-N 121.82 -0.55 . . . . 0.0 111.697 -172.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -59.27 -33.93 71.65 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -47.53 -35.27 8.68 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.693 0.797 . . . . 0.0 112.249 176.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 tpmt? -136.0 59.47 1.71 Allowed 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 167.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.262 3.8 p30 56.48 -65.27 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 128.209 2.604 . . . . 0.0 115.707 172.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -127.05 -2.4 6.45 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 125.932 1.693 . . . . 0.0 111.852 -176.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -138.8 167.18 22.57 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.218 0.607 . . . . 0.0 110.064 177.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 t -109.77 126.82 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 N-CA-C 105.412 -2.07 . . . . 0.0 105.412 169.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -83.79 159.29 21.46 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.196 0.907 . . . . 0.0 108.93 168.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -51.27 -49.88 60.34 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -176.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -58.99 -46.82 87.21 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.49 -0.756 . . . . 0.0 110.176 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -59.33 -45.79 90.36 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 123.657 0.783 . . . . 0.0 109.909 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -53.96 -52.96 59.0 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.236 0.614 . . . . 0.0 110.492 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.5 mm -57.83 -52.9 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 118.102 0.41 . . . . 0.0 110.215 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 78.3 m -49.9 -49.99 47.64 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.777 0.431 . . . . 0.0 110.947 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -59.17 -44.53 92.16 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.986 0.514 . . . . 0.0 110.669 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 75.3 mt -59.46 -35.44 74.07 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.093 0.86 . . . . 0.0 110.977 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.8 -47.68 87.07 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 169.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.9 -46.01 78.49 Favored 'General case' 0 C--O 1.222 -0.345 0 O-C-N 121.952 -0.734 . . . . 0.0 110.288 174.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 7.5 tp -60.39 -42.8 96.65 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.179 0.991 . . . . 0.0 110.819 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.81 -48.63 69.67 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.83 -0.544 . . . . 0.0 109.982 171.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 31.0 ttp -65.16 -35.39 80.95 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 5.5 mm -58.74 -50.24 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 C-N-CA 123.79 0.836 . . . . 0.0 108.946 173.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -56.68 -43.09 80.1 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 177.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.5 t30 70.49 -61.54 0.46 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.192 1.797 . . . . 0.0 113.146 168.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -49.32 -44.49 44.37 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.387 1.075 . . . . 0.0 109.709 176.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.14 -43.06 6.78 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.736 1.214 . . . . 0.0 112.31 173.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.36 -34.96 79.55 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.613 0.365 . . . . 0.0 110.917 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -73.25 -44.61 59.1 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.238 0 CA-C-O 117.091 -1.949 . . . . 0.0 110.222 174.893 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.0 mmm . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 120.975 0.416 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.23 37.04 0.25 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.863 0.865 . . . . 0.0 112.992 -172.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -46.57 -49.66 44.75 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -169.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.06 -44.85 42.98 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.72 2.28 . . . . 0.0 112.499 -178.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.2 tp -74.67 -45.93 41.35 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -50.71 -48.79 58.67 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.512 0.725 . . . . 0.0 110.703 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -62.3 -38.92 91.24 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.295 0.498 . . . . 0.0 111.433 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.38 -53.47 35.61 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.569 -0.707 . . . . 0.0 111.327 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.0 pt -58.18 -42.17 82.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 175.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.2 -44.38 9.88 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 125.481 1.515 . . . . 0.0 112.219 169.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -61.46 2.57 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.017 0.908 . . . . 0.0 110.188 177.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -51.59 -46.92 63.68 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.666 0.786 . . . . 0.0 110.317 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.14 -51.15 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.119 0.968 . . . . 0.0 109.683 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.57 -55.47 29.67 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mt -49.12 -51.99 11.72 Favored 'Isoleucine or valine' 0 C--N 1.34 0.164 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -59.52 -67.07 0.41 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.346 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -27.58 68.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -168.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -56.86 -50.65 71.82 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 170.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -64.2 -44.88 90.6 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-O 118.827 -0.606 . . . . 0.0 110.665 175.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.8 m -48.81 -44.16 38.95 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 118.672 0.669 . . . . 0.0 111.185 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -40.04 -34.82 0.6 Allowed Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.803 1.192 . . . . 0.0 113.941 176.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -56.71 -43.81 80.93 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.006 0.903 . . . . 0.0 111.898 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -89.55 -39.45 13.29 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.569 1.148 . . . . 0.0 110.842 177.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.26 168.98 24.96 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 177.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.49 63.25 1.47 Allowed 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.807 -0.82 . . . . 0.0 109.81 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -120.42 147.23 45.35 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 126.162 1.785 . . . . 0.0 107.864 -174.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -78.18 48.78 0.77 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 122.957 0.503 . . . . 0.0 110.891 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.9 p -144.38 156.54 44.27 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.074 1.349 . . . . 0.0 109.912 -172.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.0 mt -132.33 135.74 46.39 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 167.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -75.82 149.48 37.88 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 119.832 1.196 . . . . 0.0 108.952 172.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -50.64 -47.76 58.4 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.542 0.687 . . . . 0.0 112.847 -169.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 tmpt? -71.04 -29.41 65.31 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.387 -0.821 . . . . 0.0 111.235 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -66.47 -41.94 88.26 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.262 -0.899 . . . . 0.0 109.127 175.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.05 -49.35 76.11 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 169.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -52.95 -44.33 67.01 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 119.42 -0.912 . . . . 0.0 110.464 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.41 -49.39 74.67 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.59 0.632 . . . . 0.0 111.101 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 tt -50.26 -52.07 39.37 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 124.082 0.953 . . . . 0.0 109.712 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.8 mt -63.72 -47.44 91.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.278 0 CA-C-O 118.912 -0.566 . . . . 0.0 111.031 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -53.63 -43.76 68.98 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 119.134 0.879 . . . . 0.0 110.373 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -68.61 -51.04 46.7 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.98 0.355 . . . . 0.0 111.889 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -74.46 -63.2 1.29 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 122.166 0.984 . . . . 0.0 109.076 -174.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.6 mt -94.6 78.92 3.78 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 124.625 1.17 . . . . 0.0 108.091 -173.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 p -71.69 66.08 0.51 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.392 1.077 . . . . 0.0 111.784 -175.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 pp -70.6 80.12 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-O 121.657 0.741 . . . . 0.0 109.126 169.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.49 -30.98 4.73 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 124.997 1.284 . . . . 0.0 112.304 173.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 p -67.77 62.71 0.08 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.988 1.715 . . . . 0.0 110.414 169.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -64.31 -5.03 4.35 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -173.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -54.7 -31.31 57.83 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.293 -0.879 . . . . 0.0 109.198 167.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -63.02 -5.79 3.33 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 174.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -47.48 -37.88 12.7 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 119.917 1.235 . . . . 0.0 111.912 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.68 -50.36 55.11 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.498 0.59 . . . . 0.0 111.529 172.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -60.97 -46.86 89.04 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 33.9 mm -56.57 -41.74 74.12 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.041 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.2 m -75.04 -31.89 25.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 120.343 1.429 . . . . 0.0 112.555 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.29 -51.84 68.24 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.476 1.035 . . . . 0.0 109.235 169.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -54.76 -45.4 74.19 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.659 0.784 . . . . 0.0 110.911 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.5 ttp -57.25 -47.4 81.48 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 124.31 1.044 . . . . 0.0 109.135 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -56.72 -49.05 76.34 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.074 0.397 . . . . 0.0 109.991 175.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -60.06 -34.16 73.04 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.6 mt -71.83 -59.23 2.85 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.414 0.685 . . . . 0.0 110.382 172.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.19 -15.55 63.77 Favored 'General case' 0 C--O 1.227 -0.08 0 C-N-CA 124.557 1.143 . . . . 0.0 113.038 -172.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.2 ttp85 -34.16 -39.48 0.08 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.122 1.769 . . . . 0.0 111.059 168.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -30.44 -57.5 0.2 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.777 1.231 . . . . 0.0 113.985 168.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.2 ptpp? -152.71 32.97 0.49 Allowed 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 173.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.306 1.6 p30 61.63 -56.98 0.11 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 128.514 2.726 . . . . 0.0 114.679 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.1 -42.09 73.15 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 123.75 0.82 . . . . 0.0 109.551 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -127.69 155.36 44.08 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.154 0.982 . . . . 0.0 112.912 -173.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 t -92.72 151.93 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 C-N-CA 129.11 2.964 . . . . 0.0 104.911 166.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -112.56 148.91 33.53 Favored 'General case' 0 CA--C 1.523 -0.078 0 C-N-CA 123.458 0.703 . . . . 0.0 109.163 169.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -42.93 -58.38 2.43 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.89 1.276 . . . . 0.0 114.108 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 tm0? -59.88 -42.72 94.39 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 121.539 -0.726 . . . . 0.0 109.267 -174.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -68.83 -35.02 76.45 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.856 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -56.64 -51.5 68.46 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.273 0.629 . . . . 0.0 110.12 170.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.2 mm -57.83 -51.15 73.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 118.55 0.614 . . . . 0.0 109.985 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.8 m -50.15 -50.09 50.02 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.502 0.668 . . . . 0.0 110.699 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -62.95 -43.97 97.34 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 123.058 0.543 . . . . 0.0 110.621 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.1 mt -56.71 -36.27 69.49 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.136 0.88 . . . . 0.0 110.157 172.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.54 -51.12 59.73 Favored Glycine 0 CA--C 1.526 0.749 0 O-C-N 121.839 -0.538 . . . . 0.0 111.812 169.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.56 -45.09 77.32 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.919 -0.753 . . . . 0.0 111.082 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 tp -56.47 -48.79 76.38 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.704 1.202 . . . . 0.0 110.043 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.57 -44.84 85.61 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.701 0.8 . . . . 0.0 110.626 176.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 23.3 ttt -64.53 -40.29 95.34 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 122.201 -0.312 . . . . 0.0 111.38 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.7 mt -60.8 -41.85 90.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 123.82 0.848 . . . . 0.0 109.214 174.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -72.36 55.71 0.34 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.145 0.578 . . . . 0.0 110.082 169.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -55.97 -34.74 66.01 Favored 'General case' 0 N--CA 1.456 -0.133 0 O-C-N 121.406 -0.809 . . . . 0.0 112.106 -169.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -47.41 -45.32 25.31 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.928 0.891 . . . . 0.0 111.385 172.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.97 97.2 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 123.011 0.524 . . . . 0.0 110.729 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.4 mt -61.91 -52.31 64.61 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -58.3 -39.04 78.29 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.577 0.751 . . . . 0.0 111.374 -176.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.137 0 CA-C-O 117.208 -1.885 . . . . 0.0 110.668 175.611 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 36.4 ttm . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.48 -31.68 42.39 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.028 0.442 . . . . 0.0 111.87 -169.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -44.73 -52.42 18.4 Favored Pre-proline 0 N--CA 1.45 -0.447 0 C-N-CA 125.45 1.5 . . . . 0.0 113.915 -171.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -52.83 -54.53 4.95 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 123.446 2.764 . . . . 0.0 112.364 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 51.9 tp -66.08 -45.75 80.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.062 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -53.22 -50.73 64.12 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 122.381 0.272 . . . . 0.0 110.821 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -62.27 -38.92 91.14 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 122.171 -0.331 . . . . 0.0 110.77 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.69 -54.39 36.36 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.923 -0.486 . . . . 0.0 111.71 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 30.3 pt -57.93 -42.12 81.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 118.78 0.718 . . . . 0.0 109.095 176.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.92 -45.56 19.28 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 125.147 1.356 . . . . 0.0 112.522 169.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.55 -58.66 7.35 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.234 1.017 . . . . 0.0 109.708 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -52.68 -46.6 67.33 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.504 0.722 . . . . 0.0 110.109 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 62.2 mt -60.83 -51.1 77.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 122.806 0.443 . . . . 0.0 110.131 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.46 -55.61 27.72 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -49.57 -43.57 18.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 C-N-CA 123.2 0.6 . . . . 0.0 110.286 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -64.47 -62.8 1.37 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.851 0.75 . . . . 0.0 111.22 176.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -64.9 -26.42 68.31 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.861 1.059 . . . . 0.0 113.861 -168.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -51.76 -45.6 63.78 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.379 0.536 . . . . 0.0 110.23 169.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -81.14 -43.83 18.8 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 118.943 -0.551 . . . . 0.0 110.849 -177.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.7 p -57.17 -33.22 67.23 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 119.408 -0.917 . . . . 0.0 110.816 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -39.49 -49.11 3.05 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.989 1.281 . . . . 0.0 111.594 168.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -53.8 -42.09 67.98 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 123.352 0.661 . . . . 0.0 111.19 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -98.9 29.45 3.8 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.254 0.622 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.08 31.49 10.83 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 121.778 -0.576 . . . . 0.0 113.651 171.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 33.1 t70 58.26 40.52 24.58 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.54 1.136 . . . . 0.0 112.457 169.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -82.77 175.14 10.35 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.396 0.678 . . . . 0.0 109.85 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -91.98 39.12 1.01 Allowed 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.437 -0.789 . . . . 0.0 109.662 170.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 41.5 p -141.29 156.52 45.85 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.329 1.452 . . . . 0.0 109.396 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 90.5 mt -130.44 134.42 47.09 Favored 'General case' 0 C--O 1.225 -0.208 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 167.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.5 p -76.16 151.9 36.82 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.701 1.137 . . . . 0.0 108.07 173.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -54.72 -41.96 70.96 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -167.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -78.26 -26.79 47.36 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.177 -0.952 . . . . 0.0 111.406 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -65.18 -38.3 90.1 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.21 -0.931 . . . . 0.0 109.419 170.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -57.22 -48.61 78.37 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 170.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -53.51 -46.84 70.21 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.773 1.17 . . . . 0.0 111.261 174.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -50.81 -51.02 54.95 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.535 0.734 . . . . 0.0 110.253 176.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tt -52.9 -53.49 48.42 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 124.056 0.942 . . . . 0.0 109.715 175.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 56.6 mt -59.91 -55.37 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 O-C-N 122.211 -0.306 . . . . 0.0 110.356 -176.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -56.47 -38.41 71.66 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 119.049 -0.5 . . . . 0.0 111.275 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -80.07 -54.54 5.69 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.516 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -81.23 -47.33 13.53 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.586 0.754 . . . . 0.0 111.55 -169.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 8.9 mp -88.95 66.51 7.91 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.0 61.64 0.27 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.453 1.501 . . . . 0.0 113.318 -168.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 21.9 pt -67.32 128.41 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 O-C-N 121.054 -1.029 . . . . 0.0 109.492 174.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.87 -35.05 91.44 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.426 -1.069 . . . . 0.0 110.426 174.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.5 p -73.98 62.66 0.89 Allowed 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 126.579 1.951 . . . . 0.0 111.415 -177.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -53.56 -25.07 15.51 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.561 1.145 . . . . 0.0 112.477 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 81.5 mt -47.5 -31.03 3.89 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.239 1.016 . . . . 0.0 112.32 171.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -67.3 1.23 2.28 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -46.21 -38.99 9.09 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.895 1.225 . . . . 0.0 112.598 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.64 -47.68 70.07 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.335 0.588 . . . . 0.0 111.43 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.45 -43.28 94.73 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 28.4 mm -55.46 -44.5 76.21 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 118.299 -0.857 . . . . 0.0 111.218 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.251 7.9 m -67.12 -39.25 82.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 120.352 1.433 . . . . 0.0 112.119 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -59.12 -49.58 77.32 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.516 -0.74 . . . . 0.0 110.212 173.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tt -56.99 -44.57 82.86 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.985 0.914 . . . . 0.0 111.036 176.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -58.69 -43.77 90.08 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.364 1.066 . . . . 0.0 109.928 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -59.06 -49.83 76.41 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.253 0.479 . . . . 0.0 109.846 173.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -59.08 -33.66 71.07 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.46 -58.14 4.03 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.383 0.673 . . . . 0.0 109.873 172.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -64.81 -22.03 66.9 Favored 'General case' 0 C--O 1.228 -0.044 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -172.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -27.5 -46.8 0.03 OUTLIER 'General case' 0 C--N 1.341 0.212 0 C-N-CA 127.015 2.126 . . . . 0.0 111.179 169.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -24.19 -63.76 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.128 1.771 . . . . 0.0 113.58 168.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -145.95 28.58 1.13 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.163 0.985 . . . . 0.0 111.51 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.286 3.1 p30 58.13 -60.67 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 128.736 2.814 . . . . 0.0 114.923 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -63.41 -34.01 76.79 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.011 1.324 . . . . 0.0 111.03 176.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -149.89 154.81 38.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -167.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.1 152.04 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 127.732 2.413 . . . . 0.0 107.241 169.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -113.09 150.62 31.83 Favored 'General case' 0 CA--C 1.523 -0.066 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 169.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -43.38 -55.22 4.23 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -63.94 -41.86 97.49 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.325 -0.859 . . . . 0.0 109.824 -174.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -64.22 -38.32 90.64 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 122.316 -0.24 . . . . 0.0 111.179 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -55.06 -52.84 61.95 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.253 0.621 . . . . 0.0 109.83 172.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 15.7 mm -60.47 -48.62 87.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-N 118.686 0.676 . . . . 0.0 110.474 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 34.7 m -48.82 -51.93 26.82 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.957 0.903 . . . . 0.0 110.053 177.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -61.41 -47.15 87.11 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 123.529 0.732 . . . . 0.0 110.485 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 74.4 mt -54.78 -34.0 62.09 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 119.039 0.836 . . . . 0.0 110.852 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.17 -51.01 58.57 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 169.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.94 -49.12 79.03 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.039 -0.683 . . . . 0.0 110.789 176.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 tp -51.02 -50.42 58.56 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.58 1.152 . . . . 0.0 110.147 177.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.36 85.27 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.708 0.803 . . . . 0.0 110.66 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 26.0 ttp -62.82 -37.97 88.89 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 122.102 -0.374 . . . . 0.0 111.251 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.22 -40.84 90.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.677 1.191 . . . . 0.0 109.777 174.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 15.6 m-30 -72.88 53.6 0.35 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.873 0.76 . . . . 0.0 109.671 169.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -59.79 -28.84 67.77 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -167.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -46.18 -41.77 13.14 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.627 0.771 . . . . 0.0 110.603 171.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.61 -35.95 79.35 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.628 0.371 . . . . 0.0 111.579 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 16.8 mt -73.1 -51.86 16.44 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 175.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -54.61 -46.16 73.8 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 122.335 -0.228 . . . . 0.0 111.58 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.225 0 CA-C-O 117.498 -1.724 . . . . 0.0 111.219 -174.797 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.3 mtp . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.43 -5.6 34.03 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.373 0.669 . . . . 0.0 112.658 173.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.27 -46.51 3.89 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 126.712 2.005 . . . . 0.0 114.476 -178.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -59.25 -39.3 79.39 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.779 2.319 . . . . 0.0 112.811 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.9 tp -80.27 -45.41 17.97 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -50.07 -47.05 53.8 Favored 'General case' 0 C--O 1.226 -0.143 0 C-N-CA 123.779 0.832 . . . . 0.0 110.646 -177.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -61.9 -37.77 85.87 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.779 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.17 -52.93 23.05 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.739 -0.601 . . . . 0.0 110.67 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.7 pt -58.47 -41.46 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 119.74 -0.784 . . . . 0.0 109.101 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.48 -46.35 17.23 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.415 1.483 . . . . 0.0 112.044 170.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -59.58 4.8 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.205 1.002 . . . . 0.0 110.044 177.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -51.42 -49.27 61.97 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 123.293 0.637 . . . . 0.0 110.245 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.29 -47.36 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 123.365 0.666 . . . . 0.0 109.624 -176.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.05 -54.13 40.59 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 124.949 1.262 . . . . 0.0 110.318 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 mt -50.44 -56.62 3.67 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -51.37 -58.36 6.44 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.05 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -67.09 -30.56 70.63 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 118.88 -0.581 . . . . 0.0 112.435 -172.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -56.71 -46.86 81.0 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.693 0.679 . . . . 0.0 109.84 170.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -66.96 -45.51 77.52 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 118.317 -0.849 . . . . 0.0 111.379 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.5 m -49.31 -46.84 47.12 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 119.651 1.114 . . . . 0.0 111.056 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.24 -31.87 2.38 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.13 0.872 . . . . 0.0 114.053 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -58.58 -38.29 77.59 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.385 1.074 . . . . 0.0 111.793 177.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -98.43 -45.25 6.2 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.575 1.15 . . . . 0.0 111.001 177.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.05 163.23 19.18 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 108.975 -1.65 . . . . 0.0 108.975 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -77.55 49.29 0.72 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.538 -0.978 . . . . 0.0 111.973 -177.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -96.66 148.05 23.27 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 106.814 -1.551 . . . . 0.0 106.814 171.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -78.91 57.78 2.23 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 122.011 0.91 . . . . 0.0 109.693 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.8 m -156.23 155.81 33.02 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.261 1.424 . . . . 0.0 109.189 -169.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.2 mt -129.61 157.75 41.21 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 125.47 1.508 . . . . 0.0 107.355 167.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 m -97.14 176.62 5.87 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.282 0.633 . . . . 0.0 110.124 169.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.09 -65.8 0.59 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.032 1.333 . . . . 0.0 112.059 -171.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -36.81 83.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.392 -177.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -58.46 -45.74 87.99 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.8 0.44 . . . . 0.0 111.142 176.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -57.19 -49.35 76.25 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -57.98 -38.13 75.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 118.9 -1.12 . . . . 0.0 111.028 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -59.52 -49.69 76.82 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.993 0.917 . . . . 0.0 110.279 175.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 tt -46.31 -54.44 8.95 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.661 0.784 . . . . 0.0 109.922 170.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.9 mt -62.12 -50.32 80.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 O-C-N 121.735 -0.603 . . . . 0.0 111.73 -177.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -61.2 -37.25 82.32 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.558 -0.713 . . . . 0.0 111.113 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -79.72 -46.8 16.39 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.774 0.715 . . . . 0.0 111.466 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -80.78 -48.72 12.08 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.091 0.556 . . . . 0.0 112.051 -174.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.4 mt -85.89 -51.01 6.66 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.1 m 62.59 66.65 0.76 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.839 0.828 . . . . 0.0 111.113 177.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 pt -66.87 81.16 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.556 173.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -40.09 -43.94 2.73 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.496 1.522 . . . . 0.0 112.674 176.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.3 m -68.48 66.0 0.12 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.386 1.074 . . . . 0.0 110.946 169.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -61.96 -7.21 3.53 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -169.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -54.1 -37.33 64.15 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.841 -1.162 . . . . 0.0 108.903 167.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -62.82 -9.1 8.31 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.7 0.8 . . . . 0.0 112.938 177.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -48.86 -36.19 16.43 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.809 1.186 . . . . 0.0 110.786 170.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.93 -46.77 74.97 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 122.681 0.392 . . . . 0.0 111.254 173.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.99 -45.44 92.41 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.9 mm -56.62 -42.97 77.69 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.244 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.774 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.6 m -65.81 -37.01 78.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 120.481 1.491 . . . . 0.0 111.97 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -62.81 -50.99 68.8 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.25 0.932 . . . . 0.0 110.019 173.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.08 -43.46 66.76 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.227 1.011 . . . . 0.0 111.004 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -63.77 -47.56 80.44 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.572 1.149 . . . . 0.0 109.392 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -51.73 -53.04 43.81 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -54.18 -53.15 57.31 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.904 0.481 . . . . 0.0 110.54 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mt -49.44 -55.86 11.7 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.058 0.943 . . . . 0.0 110.989 177.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.17 -32.9 61.39 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.781 -0.575 . . . . 0.0 112.113 -173.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.0 ttm-85 -59.13 -34.54 72.17 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 123.113 0.565 . . . . 0.0 111.403 -169.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -49.48 -37.66 27.11 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 174.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -119.69 51.6 1.16 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.203 1.001 . . . . 0.0 109.07 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.273 4.0 p30 59.3 -58.98 0.05 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 129.307 3.043 . . . . 0.0 116.419 169.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -133.98 -21.68 1.87 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.414 1.486 . . . . 0.0 112.042 -172.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -120.12 152.62 37.35 Favored 'General case' 0 C--O 1.225 -0.191 0 C-N-CA 123.845 0.858 . . . . 0.0 109.17 -172.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.0 t -96.11 106.41 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -78.39 152.91 32.01 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.745 -0.597 . . . . 0.0 109.581 176.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -46.69 -55.23 8.1 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -64.48 -39.39 93.71 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.432 -0.793 . . . . 0.0 109.682 -174.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -57.47 -48.84 78.11 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.999 0.519 . . . . 0.0 110.166 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -51.68 -52.56 47.19 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.948 0.499 . . . . 0.0 110.643 176.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.5 mm -57.23 -52.87 51.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 118.306 0.503 . . . . 0.0 110.207 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.6 m -50.04 -52.04 37.44 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.629 0.772 . . . . 0.0 110.469 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -62.68 -43.4 98.89 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 123.525 0.73 . . . . 0.0 110.805 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.7 mt -55.82 -33.09 64.13 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.196 0.907 . . . . 0.0 110.227 173.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.81 -49.36 78.65 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 121.889 -0.507 . . . . 0.0 111.978 169.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.51 -47.34 82.22 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 117.782 0.791 . . . . 0.0 110.96 175.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.0 tp -55.05 -47.76 74.36 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.79 1.236 . . . . 0.0 109.717 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.85 -45.88 89.05 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.473 0.709 . . . . 0.0 110.96 176.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 57.5 ttm -60.06 -43.59 95.32 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 118.385 0.539 . . . . 0.0 110.568 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 83.1 mt -56.19 -43.26 75.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -72.21 51.62 0.24 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.661 0.784 . . . . 0.0 111.844 169.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -45.98 -32.56 2.82 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 127.635 2.374 . . . . 0.0 112.366 172.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.2 mp0 -58.96 -42.26 89.49 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.515 0.726 . . . . 0.0 110.102 176.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.11 -41.92 85.39 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.538 0.735 . . . . 0.0 110.501 177.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -54.32 -56.99 12.98 Favored 'General case' 0 C--N 1.341 0.202 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 174.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -59.86 -53.82 53.47 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 122.124 -0.36 . . . . 0.0 110.787 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.203 0 CA-C-O 117.356 -1.802 . . . . 0.0 113.02 174.164 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 43.4 ttm . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.523 0.202 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 75.34 -50.13 0.64 Allowed 'General case' 0 C--O 1.232 0.157 0 C-N-CA 126.796 2.039 . . . . 0.0 112.005 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.74 -49.66 5.49 Favored Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 124.906 1.283 . . . . 0.0 113.802 -176.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.0 -40.87 82.29 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.87 2.38 . . . . 0.0 113.113 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 53.1 tp -79.73 -44.54 20.57 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -50.48 -47.27 57.15 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 123.668 0.787 . . . . 0.0 110.659 -177.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -60.99 -38.91 87.67 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.228 0.467 . . . . 0.0 111.522 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.56 -53.95 19.74 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.744 -0.598 . . . . 0.0 110.843 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 46.4 pt -58.3 -41.35 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 119.781 -0.767 . . . . 0.0 109.156 175.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.67 -44.42 17.06 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 125.95 1.738 . . . . 0.0 112.249 170.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -60.19 4.01 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 118.188 0.994 . . . . 0.0 109.909 178.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -53.38 -46.29 69.59 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 123.649 0.78 . . . . 0.0 110.632 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 54.4 mt -60.84 -51.54 72.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 123.895 0.878 . . . . 0.0 109.536 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.62 -57.85 16.77 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mt -46.54 -50.42 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 123.49 0.716 . . . . 0.0 109.939 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -64.82 -66.59 0.52 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.317 0.58 . . . . 0.0 111.857 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -69.82 -25.57 63.83 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -167.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -45.34 91.97 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 170.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -63.13 -52.52 62.21 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 118.4 -0.81 . . . . 0.0 110.999 173.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -46.07 -47.81 17.1 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.792 0.724 . . . . 0.0 110.918 177.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -40.67 -33.88 0.66 Allowed Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.885 1.707 . . . . 0.0 114.383 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -51.08 -46.28 61.73 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.333 1.066 . . . . 0.0 111.221 174.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -94.99 -38.23 10.76 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.139 0.976 . . . . 0.0 111.289 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.8 154.88 8.93 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 109.266 -1.533 . . . . 0.0 109.266 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -77.39 57.22 1.48 Allowed 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.562 -0.964 . . . . 0.0 110.909 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -106.48 150.69 25.84 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.815 1.646 . . . . 0.0 107.834 176.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -79.44 52.01 1.31 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.253 0.621 . . . . 0.0 111.067 -173.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 13.1 p -147.24 148.99 32.04 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 126.375 1.87 . . . . 0.0 110.019 -169.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 97.2 mt -129.09 151.04 50.21 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 166.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 27.2 p -89.23 160.39 16.96 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 169.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -62.54 -44.21 96.92 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.011 -1.055 . . . . 0.0 112.919 -169.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -74.71 -32.9 62.28 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 120.712 -1.242 . . . . 0.0 110.615 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -58.33 -40.63 82.61 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.438 -0.789 . . . . 0.0 110.149 170.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -57.16 -44.76 83.77 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.735 -0.603 . . . . 0.0 109.863 171.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -56.49 -46.99 80.21 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 120.414 -1.429 . . . . 0.0 110.879 172.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -54.69 -38.28 66.83 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.464 0.706 . . . . 0.0 111.22 177.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 tt -60.24 -57.87 10.93 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 123.788 0.835 . . . . 0.0 109.783 170.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 44.2 mt -56.08 -50.73 68.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 O-C-N 122.118 -0.364 . . . . 0.0 111.557 -174.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -59.23 -31.52 69.13 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.183 0.447 . . . . 0.0 111.814 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -80.95 -58.13 3.23 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.075 0.464 . . . . 0.0 111.223 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -80.54 -42.93 21.52 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.096 0.959 . . . . 0.0 112.476 -168.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.1 mt -89.47 -41.15 12.23 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . 0.283 0.7 OUTLIER 46.68 63.86 1.75 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.053 1.741 . . . . 0.0 111.691 171.838 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.77 -21.64 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 114.454 -1.248 . . . . 0.0 113.136 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.21 -59.55 3.97 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.2 m -64.04 72.74 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.606 1.962 . . . . 0.0 112.526 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -52.84 -25.46 11.58 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.184 0.994 . . . . 0.0 112.912 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 83.1 mt -47.62 -35.81 9.91 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.566 0.746 . . . . 0.0 111.968 171.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -74.97 5.18 5.43 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.755 0.822 . . . . 0.0 112.802 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -48.25 -39.16 20.49 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 119.477 1.035 . . . . 0.0 112.168 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.46 -49.25 55.7 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.277 0.56 . . . . 0.0 111.289 173.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.87 -42.31 97.56 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 33.4 mm -56.97 -45.41 83.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 118.456 -0.783 . . . . 0.0 110.927 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.6 m -71.69 -31.83 43.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 120.196 1.362 . . . . 0.0 112.457 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -60.23 -51.82 67.92 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.641 1.11 . . . . 0.0 109.558 169.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 tt -55.49 -44.19 76.3 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.419 0.688 . . . . 0.0 110.889 176.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 39.4 ttp -56.26 -50.56 70.97 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.109 0.964 . . . . 0.0 109.439 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -55.08 -47.75 74.47 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.935 0.494 . . . . 0.0 110.21 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -58.43 -45.31 88.73 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 122.157 -0.339 . . . . 0.0 111.08 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.38 -56.72 18.01 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.39 0.676 . . . . 0.0 110.765 174.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -70.9 -15.87 62.64 Favored 'General case' 0 C--N 1.334 -0.081 0 C-N-CA 124.029 0.931 . . . . 0.0 113.085 -171.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -34.15 -47.35 0.28 Allowed 'General case' 0 C--N 1.342 0.255 0 C-N-CA 125.286 1.434 . . . . 0.0 110.277 168.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -28.99 -55.53 0.13 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 126.421 1.889 . . . . 0.0 114.362 171.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -158.3 50.38 0.4 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.505 0.722 . . . . 0.0 109.904 -176.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 p30 50.84 -70.17 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.376 2.67 . . . . 0.0 115.112 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -84.82 -33.39 22.92 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.442 1.497 . . . . 0.0 110.396 176.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -108.54 144.62 35.96 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.53 1.132 . . . . 0.0 112.609 -170.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 21.2 t -110.97 111.32 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 127.66 2.384 . . . . 0.0 105.697 169.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -82.61 148.07 28.2 Favored 'General case' 0 C--O 1.232 0.171 0 O-C-N 121.558 -0.714 . . . . 0.0 109.182 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -45.47 -52.54 10.08 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.252 1.021 . . . . 0.0 112.974 -176.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -50.34 -51.67 43.62 Favored 'General case' 0 N--CA 1.457 -0.109 0 O-C-N 122.339 -0.226 . . . . 0.0 110.55 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -72.98 -27.95 62.11 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 119.195 -0.431 . . . . 0.0 111.833 -175.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.66 -49.77 75.39 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 167.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 19.6 mm -60.53 -51.79 68.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 O-C-N 122.009 -0.432 . . . . 0.0 110.629 177.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 10.5 m -48.59 -50.42 32.52 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.684 0.794 . . . . 0.0 110.264 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -60.69 -45.7 93.18 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 118.879 -0.582 . . . . 0.0 110.359 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 75.5 mt -57.35 -35.91 70.52 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.627 1.103 . . . . 0.0 110.918 174.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.99 -49.81 68.78 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 169.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.14 87.32 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 122.041 -0.682 . . . . 0.0 111.63 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 tp -58.06 -49.11 78.03 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.813 1.245 . . . . 0.0 109.081 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.96 -53.63 53.16 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.048 0.539 . . . . 0.0 109.776 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 48.5 ttp -54.32 -44.01 71.68 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.679 0.392 . . . . 0.0 111.353 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.59 -43.56 96.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 124.26 1.024 . . . . 0.0 109.898 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -54.36 -43.32 71.23 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.1 t30 69.22 -61.05 0.44 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 126.304 1.842 . . . . 0.0 113.917 167.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -51.32 -38.4 52.78 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.242 1.017 . . . . 0.0 109.691 175.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.12 -44.12 52.07 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.902 0.881 . . . . 0.0 112.064 172.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.24 -43.38 57.26 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.479 0.712 . . . . 0.0 109.785 -177.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -57.74 -43.02 85.09 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 175.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.251 0 CA-C-O 117.386 -1.786 . . . . 0.0 111.221 -178.944 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.2 mtt . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.29 -65.35 0.53 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.769 1.228 . . . . 0.0 111.53 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -57.71 16.89 Favored Pre-proline 0 N--CA 1.45 -0.444 0 CA-C-O 117.746 -1.121 . . . . 0.0 111.381 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -40.0 -51.75 3.01 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 124.092 3.194 . . . . 0.0 114.557 170.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.0 tp -64.61 -48.69 73.97 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 121.119 -0.988 . . . . 0.0 110.353 177.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -53.95 -47.33 71.4 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.896 0.478 . . . . 0.0 110.369 -177.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -63.63 -40.69 97.54 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.071 0.396 . . . . 0.0 111.068 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.54 -56.1 25.48 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.915 0.779 . . . . 0.0 111.738 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.3 pt -57.08 -42.79 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.61 -42.65 14.52 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 125.569 1.557 . . . . 0.0 112.907 170.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.85 -60.15 4.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.179 0.989 . . . . 0.0 109.248 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -51.36 -49.07 62.2 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.742 0.817 . . . . 0.0 110.029 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.4 mt -58.96 -50.93 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.982 -177.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.38 -53.8 42.87 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.1 mt -48.72 -51.64 11.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 123.079 0.552 . . . . 0.0 109.694 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -59.62 -53.1 61.94 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.262 0.553 . . . . 0.0 111.818 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -75.12 -22.8 57.96 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -169.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -58.09 -56.83 16.98 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.286 0.948 . . . . 0.0 108.802 169.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -64.18 -38.93 92.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.598 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.2 m -58.95 -53.59 56.69 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 173.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.02 -43.72 8.72 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 125.403 1.478 . . . . 0.0 112.502 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -48.15 -38.83 18.88 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.188 0.595 . . . . 0.0 112.169 175.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -114.49 36.26 3.86 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.726 1.61 . . . . 0.0 111.234 174.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.16 134.32 4.09 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.129 0.871 . . . . 0.0 111.762 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -74.82 62.07 1.06 Allowed 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.576 -0.955 . . . . 0.0 112.041 -175.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -99.06 147.88 24.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.521 1.528 . . . . 0.0 106.986 169.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -80.95 45.78 0.85 Allowed 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.554 -0.716 . . . . 0.0 111.417 -171.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.3 t -159.07 121.71 3.6 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.537 1.135 . . . . 0.0 109.097 -174.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.6 mt -91.53 146.85 23.46 Favored 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 123.782 0.833 . . . . 0.0 108.857 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.9 t -79.82 146.7 32.11 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 166.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -53.75 -39.73 65.57 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -169.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -34.72 69.3 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.374 -0.829 . . . . 0.0 111.06 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -62.73 -45.7 91.5 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 174.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -53.48 -45.53 69.64 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.892 169.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -55.74 -44.6 77.71 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 119.963 -1.711 . . . . 0.0 111.347 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -61.99 -33.73 74.86 Favored 'General case' 0 CA--C 1.535 0.365 0 O-C-N 121.998 -0.439 . . . . 0.0 111.324 176.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.55 -59.21 5.76 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.431 0.693 . . . . 0.0 110.193 169.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.8 mt -53.07 -48.26 53.37 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 CA-C-N 118.473 0.579 . . . . 0.0 110.268 -174.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -53.5 -38.51 63.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 119.504 -0.284 . . . . 0.0 111.561 -175.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -75.91 -59.92 2.54 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -43.84 -52.84 6.47 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.914 2.086 . . . . 0.0 112.033 -175.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.4 mt -100.8 16.43 25.1 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.018 0.927 . . . . 0.0 111.807 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 47.8 p 47.16 56.56 6.71 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.299 1.04 . . . . 0.0 111.563 173.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.7 tp -7.09 85.94 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 127.995 2.518 . . . . 0.0 114.657 -169.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.95 69.72 1.24 Allowed Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.942 0.782 . . . . 0.0 112.963 -171.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 m 92.87 121.55 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 128.37 2.668 . . . . 0.0 109.659 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -55.06 -30.53 59.8 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.28 0.632 . . . . 0.0 111.943 -178.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -52.04 -28.18 16.36 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.393 1.077 . . . . 0.0 112.221 175.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -69.9 -9.22 54.14 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 118.514 -0.755 . . . . 0.0 112.512 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -44.51 -46.35 9.74 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 119.801 1.182 . . . . 0.0 113.028 -177.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.1 -46.63 68.78 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.493 0.717 . . . . 0.0 111.131 175.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -66.28 -43.44 86.36 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.8 mm -53.47 -50.93 46.26 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 CA-C-O 118.737 -0.649 . . . . 0.0 109.581 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.266 18.5 m -68.49 -32.61 56.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 119.244 0.929 . . . . 0.0 112.79 -176.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -61.2 -50.32 73.61 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.612 1.096 . . . . 0.0 109.853 169.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tt -58.58 -38.19 77.39 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.398 0.679 . . . . 0.0 111.357 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.7 ttp -60.34 -52.73 64.02 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 125.269 1.428 . . . . 0.0 109.157 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -50.64 -52.64 37.7 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -53.73 -52.16 61.02 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.652 0.381 . . . . 0.0 111.676 176.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mt -51.68 -56.27 14.68 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.61 0.764 . . . . 0.0 110.629 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -73.75 -25.62 60.26 Favored 'General case' 0 C--O 1.228 -0.054 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -172.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.7 ttm-85 -47.4 -44.02 24.03 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 123.691 0.797 . . . . 0.0 110.381 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -50.75 -29.34 11.19 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.699 1.2 . . . . 0.0 113.185 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -136.56 50.14 2.05 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 169.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 p30 57.05 -25.3 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 128.886 2.875 . . . . 0.0 118.692 168.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -170.23 -37.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 120.256 1.389 . . . . 0.0 110.967 -169.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -95.1 163.87 13.11 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 169.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.2 t -113.93 97.26 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 126.299 1.839 . . . . 0.0 106.586 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -78.7 144.09 35.62 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.67 0.272 . . . . 0.0 110.442 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -47.37 -54.39 11.34 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -169.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -54.54 -41.15 69.42 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.469 -0.769 . . . . 0.0 110.401 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -71.5 -36.74 71.21 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.914 0.886 . . . . 0.0 109.855 -176.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -54.5 -53.1 58.83 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.096 0.407 . . . . 0.0 109.918 169.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.7 mm -58.63 -48.88 84.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 O-C-N 122.248 -0.282 . . . . 0.0 110.282 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.9 m -50.68 -51.57 48.1 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.363 0.665 . . . . 0.0 110.338 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -59.62 -44.31 93.51 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.39 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.8 mt -57.91 -34.37 69.75 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.936 0.789 . . . . 0.0 111.314 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.26 -50.68 62.68 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 169.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.78 -42.77 80.03 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 122.163 -0.61 . . . . 0.0 110.862 174.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.59 -43.84 96.91 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.761 0.824 . . . . 0.0 110.19 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.36 -47.5 83.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.35 0.66 . . . . 0.0 110.453 173.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -41.41 75.25 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.742 -0.599 . . . . 0.0 110.534 175.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.93 -39.63 82.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 124.629 1.171 . . . . 0.0 111.561 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -51.6 -48.64 63.16 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 169.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 71.82 -59.19 0.56 Allowed 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 125.941 1.696 . . . . 0.0 113.785 167.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -50.35 -41.6 51.8 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.303 1.041 . . . . 0.0 110.364 176.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.75 -42.03 45.4 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.73 1.212 . . . . 0.0 112.092 174.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.89 -38.12 25.83 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 123.621 0.768 . . . . 0.0 109.966 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -56.38 -40.24 74.25 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.99 0.916 . . . . 0.0 110.45 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.277 0 CA-C-O 117.018 -1.99 . . . . 0.0 112.245 172.956 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.1 tpt . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.31 28.06 0.15 Allowed 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.816 0.846 . . . . 0.0 113.156 -170.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.72 -45.66 48.57 Favored Pre-proline 0 CA--C 1.535 0.387 0 C-N-CA 125.507 1.523 . . . . 0.0 114.072 -172.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -60.22 -40.95 55.13 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.259 1.973 . . . . 0.0 112.879 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 tp -80.32 -46.0 16.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.482 176.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -49.18 -45.91 44.78 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.687 0.795 . . . . 0.0 110.656 -175.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -60.15 -40.21 89.08 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.565 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.31 -55.13 13.17 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.873 -0.517 . . . . 0.0 110.747 -177.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 pt -58.49 -41.5 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.537 176.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.84 -44.96 25.03 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 125.165 1.364 . . . . 0.0 111.892 170.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.08 -60.16 4.01 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 117.846 0.823 . . . . 0.0 110.405 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -52.45 -46.16 66.36 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.615 0.766 . . . . 0.0 110.221 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 59.4 mt -60.13 -51.88 67.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.183 0.593 . . . . 0.0 110.076 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.94 -54.03 39.92 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 mt -49.53 -52.35 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -59.92 -63.5 1.28 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.351 0.596 . . . . 0.0 111.782 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -67.94 -20.89 65.11 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 119.113 -0.47 . . . . 0.0 112.175 -168.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -58.32 -52.6 64.91 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.797 0.726 . . . . 0.0 109.21 168.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -68.28 -33.76 74.94 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 118.911 -0.566 . . . . 0.0 111.24 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m -56.12 -61.55 2.31 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.27 168.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -43.72 -42.46 6.15 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 125.421 1.486 . . . . 0.0 112.481 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -48.98 -39.96 28.61 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -98.57 -48.62 4.92 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.985 0.914 . . . . 0.0 111.458 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -173.7 134.91 3.03 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 178.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -76.64 50.37 0.68 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.043 1.337 . . . . 0.0 113.042 -173.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -106.29 159.63 15.97 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 169.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -81.96 54.14 2.39 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 122.383 1.087 . . . . 0.0 110.884 -170.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.0 p -153.77 150.19 28.23 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 127.568 2.347 . . . . 0.0 106.672 -169.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -149.88 150.21 31.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 118.25 0.477 . . . . 0.0 110.444 168.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 87.1 p -78.37 160.98 27.5 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.124 0.488 . . . . 0.0 110.932 -169.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -59.17 -44.95 92.15 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -172.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -70.8 -33.33 70.62 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 120.938 -1.101 . . . . 0.0 110.357 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -62.28 -38.47 89.49 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.648 0.658 . . . . 0.0 109.915 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -57.97 -50.98 71.53 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 170.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -54.78 -42.41 71.71 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 119.24 -0.984 . . . . 0.0 110.678 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -57.97 -48.86 78.71 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.156 0.583 . . . . 0.0 110.645 175.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -50.16 -51.83 40.4 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 123.645 0.778 . . . . 0.0 109.428 174.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.9 mt -62.9 -59.38 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.101 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -56.03 -36.27 67.79 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 119.038 -0.506 . . . . 0.0 112.112 -175.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.36 -53.84 6.26 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 118.649 0.659 . . . . 0.0 110.603 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -79.15 -53.07 7.35 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 122.025 -0.422 . . . . 0.0 110.159 -171.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mp -85.89 67.84 10.15 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.6 61.71 0.1 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.829 1.652 . . . . 0.0 113.825 -168.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 pt -67.19 128.71 30.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 O-C-N 121.075 -1.015 . . . . 0.0 109.774 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.02 -28.63 66.24 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 173.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -73.76 65.15 0.99 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 126.153 1.781 . . . . 0.0 111.099 -176.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -58.32 -16.83 15.87 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.94 0.896 . . . . 0.0 113.153 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -52.48 -28.0 18.57 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.386 0.675 . . . . 0.0 111.347 169.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -69.43 -6.34 29.63 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 176.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -45.35 -45.73 12.62 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 119.891 1.223 . . . . 0.0 113.003 -175.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.03 -47.5 65.0 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.714 0.806 . . . . 0.0 111.207 175.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -66.45 -41.85 88.47 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 35.0 mm -57.37 -46.05 85.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 118.473 -0.775 . . . . 0.0 110.671 175.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.276 14.1 m -68.24 -36.43 75.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 120.21 1.368 . . . . 0.0 112.259 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -56.87 -52.78 63.78 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.139 0.881 . . . . 0.0 110.05 171.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 tt -54.49 -44.86 73.02 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.412 1.085 . . . . 0.0 111.197 176.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -61.89 -41.72 98.22 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.88 0.872 . . . . 0.0 109.711 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -59.57 -48.9 79.87 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 173.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -54.27 -50.42 67.28 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.392 0.277 . . . . 0.0 111.187 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mt -56.26 -58.02 9.75 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 122.982 0.513 . . . . 0.0 110.179 174.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -64.69 -24.8 67.69 Favored 'General case' 0 N--CA 1.461 0.12 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -172.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -46.99 -32.31 3.81 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.122 0.969 . . . . 0.0 110.767 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -35.82 -53.66 0.73 Allowed 'General case' 0 C--N 1.34 0.176 0 C-N-CA 125.069 1.348 . . . . 0.0 112.986 168.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -154.92 55.0 0.66 Allowed 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -173.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 p30 44.78 -79.01 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.733 2.413 . . . . 0.0 115.036 174.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -78.35 -20.85 50.46 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.455 1.502 . . . . 0.0 111.764 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -144.04 163.13 34.41 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 -170.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 5.6 t -111.31 129.93 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 127.053 2.141 . . . . 0.0 106.576 174.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -90.18 148.54 22.89 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 169.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -40.97 -53.86 2.87 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.668 1.187 . . . . 0.0 114.122 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -63.33 -40.48 97.45 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 121.352 -0.843 . . . . 0.0 110.172 -172.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -70.14 -39.1 75.58 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -50.75 -51.23 52.19 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.569 0.622 . . . . 0.0 110.597 170.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 23.7 mm -58.22 -51.89 65.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 118.519 0.599 . . . . 0.0 110.307 176.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 44.3 m -48.16 -51.37 25.3 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.803 0.811 . . . . 0.0 110.428 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -63.11 -43.7 97.71 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 123.633 0.773 . . . . 0.0 110.361 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.0 mt -57.55 -34.81 69.55 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.945 1.248 . . . . 0.0 110.73 173.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.68 -50.5 64.87 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 169.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.09 -46.05 79.2 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 122.173 -0.604 . . . . 0.0 111.113 174.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.56 -48.34 74.91 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 125.265 1.426 . . . . 0.0 109.609 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.91 -53.84 50.28 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.244 0.618 . . . . 0.0 109.856 174.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 14.6 ttt -60.77 -34.12 73.99 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 122.057 -0.402 . . . . 0.0 112.022 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 62.5 mt -72.33 -42.74 65.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 125.492 1.517 . . . . 0.0 110.354 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -52.65 -47.8 66.85 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 170.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 71.46 -59.34 0.55 Allowed 'General case' 0 C--O 1.227 -0.086 0 C-N-CA 125.915 1.686 . . . . 0.0 113.79 167.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -48.67 -46.94 40.91 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.241 1.017 . . . . 0.0 109.597 176.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.23 -41.17 1.26 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.997 1.719 . . . . 0.0 113.145 173.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.87 -30.72 62.79 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.53 0.732 . . . . 0.0 110.693 -176.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -77.65 -44.57 27.71 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 174.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 116.85 -2.083 . . . . 0.0 111.186 177.412 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 121.054 0.454 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 71.62 -62.08 0.47 Allowed 'General case' 0 C--O 1.233 0.194 0 C-N-CA 128.417 2.687 . . . . 0.0 111.271 172.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -37.99 -48.22 2.92 Favored Pre-proline 0 N--CA 1.447 -0.585 0 C-N-CA 128.751 2.82 . . . . 0.0 113.742 -172.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.07 -46.93 22.51 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 121.447 1.431 . . . . 0.0 112.897 -178.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.7 tp -80.49 -44.71 18.72 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 118.513 0.597 . . . . 0.0 109.491 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.68 -43.66 62.8 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.849 0.859 . . . . 0.0 110.961 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -38.35 86.41 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.137 0.881 . . . . 0.0 110.872 178.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.94 -52.86 12.95 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 117.745 0.248 . . . . 0.0 110.342 -173.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.7 pt -57.61 -43.26 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 173.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.27 -44.05 20.01 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 125.092 1.329 . . . . 0.0 112.462 170.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -60.89 3.11 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.094 0.958 . . . . 0.0 109.83 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -51.14 -46.81 62.08 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.415 0.686 . . . . 0.0 110.034 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.54 -54.32 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 C-N-CA 123.603 0.761 . . . . 0.0 110.118 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.53 -49.85 66.76 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.291 -1.124 . . . . 0.0 110.291 -178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 mt -51.96 -53.2 18.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 175.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -58.06 -63.61 1.2 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.455 0.645 . . . . 0.0 111.196 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.61 -24.32 65.46 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -167.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -42.97 82.22 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 118.561 -1.256 . . . . 0.0 110.039 171.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -70.09 -39.25 75.66 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.491 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.9 p -60.99 -56.75 17.46 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 118.584 -1.246 . . . . 0.0 108.141 169.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -29.22 -54.41 0.16 Allowed Glycine 0 CA--C 1.526 0.767 0 C-N-CA 126.945 2.212 . . . . 0.0 113.431 172.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -45.76 -42.66 12.28 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.875 1.27 . . . . 0.0 113.231 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -100.74 -25.37 14.16 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.392 1.077 . . . . 0.0 112.479 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.98 119.18 0.47 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 109.092 -1.603 . . . . 0.0 109.092 -174.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -69.98 74.63 0.47 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.043 0.937 . . . . 0.0 111.537 -175.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -124.68 163.64 21.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.883 1.673 . . . . 0.0 108.691 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -76.34 38.17 0.18 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.245 0.618 . . . . 0.0 111.329 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.7 p -151.27 132.5 14.49 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 125.06 1.344 . . . . 0.0 109.897 -170.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 mp -108.59 143.88 37.04 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 167.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.1 p -77.31 155.03 32.29 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -54.15 -40.01 67.04 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -171.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -79.94 -29.65 39.75 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.297 -0.877 . . . . 0.0 111.529 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -61.72 -41.93 98.27 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.181 -0.949 . . . . 0.0 108.95 170.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -55.04 -50.44 69.07 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.733 0.413 . . . . 0.0 110.015 171.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -51.02 -48.62 61.4 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.259 -0.9 . . . . 0.0 111.026 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -54.76 -47.24 74.13 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 122.369 0.267 . . . . 0.0 111.283 177.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 tt -52.24 -53.35 44.78 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 123.725 0.81 . . . . 0.0 109.848 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.9 mt -62.7 -49.83 82.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -177.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -38.9 69.8 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.512 -176.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -74.54 -59.48 2.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.917 0.781 . . . . 0.0 110.489 172.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -60.45 -54.92 39.8 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 123.042 0.537 . . . . 0.0 112.426 -169.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.4 mt -82.34 -22.35 35.58 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.092 0.405 . . . . 0.0 110.968 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m 61.93 60.05 1.61 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.262 0.553 . . . . 0.0 111.014 169.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.2 pt -73.11 65.95 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 123.919 0.888 . . . . 0.0 112.284 -175.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.82 -29.52 34.08 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 124.89 1.233 . . . . 0.0 113.871 -177.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 p -70.26 -22.4 62.88 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.585 1.154 . . . . 0.0 112.666 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 mttp 73.14 -47.41 0.67 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.336 1.854 . . . . 0.0 114.221 172.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.68 -18.26 7.61 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.621 1.169 . . . . 0.0 112.703 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -57.08 -22.83 42.38 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.492 -0.755 . . . . 0.0 111.861 171.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -42.66 -45.18 4.58 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 125.249 1.42 . . . . 0.0 113.002 -177.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.97 -45.16 74.94 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.204 0.602 . . . . 0.0 111.283 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.05 -47.8 78.76 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 176.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 mm -54.21 -43.76 62.0 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.622 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.284 9.2 m -68.01 -37.82 78.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 120.471 1.487 . . . . 0.0 112.563 -178.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.74 -51.54 69.34 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.053 0.842 . . . . 0.0 109.854 172.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -55.97 -42.99 77.11 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.108 0.963 . . . . 0.0 111.333 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -61.65 -43.28 99.15 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.306 1.443 . . . . 0.0 109.474 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.01 -48.65 80.81 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.361 0.528 . . . . 0.0 109.59 174.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -54.83 -50.52 68.42 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 122.208 -0.308 . . . . 0.0 111.323 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -57.37 -57.19 13.74 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.407 0.683 . . . . 0.0 110.777 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -67.42 -22.2 65.53 Favored 'General case' 0 N--CA 1.457 -0.083 0 CA-C-O 118.221 -0.895 . . . . 0.0 112.862 -172.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -38.99 -37.84 0.4 Allowed 'General case' 0 C--N 1.344 0.331 0 C-N-CA 125.371 1.468 . . . . 0.0 110.812 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -23.06 -62.04 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.478 1.911 . . . . 0.0 113.28 165.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -147.17 24.69 1.14 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.653 1.181 . . . . 0.0 111.614 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.313 0.1 OUTLIER 63.91 -53.32 0.24 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 128.411 2.684 . . . . 0.0 115.1 -179.063 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -78.9 -40.35 32.49 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 121.301 -0.875 . . . . 0.0 110.559 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.69 152.3 51.74 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.412 1.085 . . . . 0.0 111.846 -173.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.1 p -103.07 130.23 53.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 125.252 1.421 . . . . 0.0 108.295 169.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.83 152.98 21.43 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.799 0.44 . . . . 0.0 110.117 176.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -42.76 -52.73 4.87 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.375 1.47 . . . . 0.0 113.838 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -60.11 -41.36 92.4 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 121.33 -0.856 . . . . 0.0 111.038 -176.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -72.61 -37.84 67.97 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -53.51 -54.06 42.65 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.613 0.642 . . . . 0.0 110.379 171.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 18.5 mm -56.1 -53.11 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.7 m -52.7 -47.68 67.09 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.143 0.497 . . . . 0.0 111.17 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -63.6 -43.16 97.73 Favored 'General case' 0 N--CA 1.446 -0.64 0 O-C-N 121.304 -0.873 . . . . 0.0 110.662 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.5 mt -57.72 -36.52 72.12 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.432 -0.793 . . . . 0.0 110.155 171.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.51 -42.53 95.99 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 121.949 -0.469 . . . . 0.0 112.168 169.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.67 -48.18 80.43 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 120.984 -1.304 . . . . 0.0 109.947 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.0 tp -53.32 -49.4 67.13 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.704 1.202 . . . . 0.0 109.746 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.57 -47.18 85.12 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.14 0.976 . . . . 0.0 110.994 177.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 55.3 ttp -62.83 -40.32 97.05 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.406 0.282 . . . . 0.0 110.78 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.0 mt -58.0 -48.73 83.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 172.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -71.51 41.78 0.07 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.821 0.849 . . . . 0.0 112.288 171.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -44.93 -32.33 1.58 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 127.132 2.173 . . . . 0.0 112.793 177.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.1 mp0 -47.88 -41.1 23.5 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.989 0.916 . . . . 0.0 110.506 175.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.03 -37.14 83.82 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.371 0.668 . . . . 0.0 111.746 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 35.1 mt -66.62 -50.71 62.1 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 172.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -52.84 -44.23 66.59 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.256 -0.277 . . . . 0.0 111.415 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.177 0 CA-C-O 117.329 -1.817 . . . . 0.0 110.635 174.863 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 61.9 mtt . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.87 -55.35 0.43 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 129.731 3.213 . . . . 0.0 112.169 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -39.22 -47.86 4.23 Favored Pre-proline 0 N--CA 1.448 -0.572 0 C-N-CA 128.543 2.737 . . . . 0.0 113.623 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.35 -55.16 3.33 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 121.979 1.786 . . . . 0.0 111.956 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 42.3 tp -68.63 -44.41 74.26 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.173 -0.955 . . . . 0.0 110.28 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -52.62 -48.34 66.4 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 122.733 0.413 . . . . 0.0 111.089 -175.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -38.98 85.06 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.182 0.446 . . . . 0.0 110.616 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.06 -53.05 22.41 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 122.149 0.18 . . . . 0.0 111.039 -176.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 28.8 pt -57.21 -44.16 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 119.806 -0.758 . . . . 0.0 109.001 175.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.41 -45.38 22.28 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.903 1.24 . . . . 0.0 112.417 171.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.4 -60.22 4.13 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.177 0.991 . . . . 0.0 109.889 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mp -51.48 -47.57 63.13 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 123.256 0.623 . . . . 0.0 110.302 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 64.2 mt -60.44 -54.19 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 124.288 1.035 . . . . 0.0 110.05 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.98 -50.06 63.57 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 124.701 1.143 . . . . 0.0 110.532 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -52.66 -58.04 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -53.21 -58.36 7.33 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.086 0.469 . . . . 0.0 111.229 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -26.42 60.69 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 119.851 -0.74 . . . . 0.0 112.218 -169.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -66.04 -42.14 89.97 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 118.865 -1.134 . . . . 0.0 109.277 173.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -63.09 -51.47 66.47 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.07 175.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 97.1 p -56.99 -44.56 82.86 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 120.046 1.294 . . . . 0.0 109.904 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -35.1 -36.09 0.08 OUTLIER Glycine 0 CA--C 1.532 1.116 0 C-N-CA 126.582 2.039 . . . . 0.0 114.688 169.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -50.38 -47.79 56.08 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.599 1.199 . . . . 0.0 111.458 176.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -96.02 -39.48 9.73 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.594 0.758 . . . . 0.0 110.37 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.01 141.74 3.96 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 108.299 -1.92 . . . . 0.0 108.299 176.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -75.44 64.9 1.63 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 117.926 0.863 . . . . 0.0 110.773 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -105.35 158.27 16.75 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.263 1.425 . . . . 0.0 108.747 173.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -79.82 36.65 0.34 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.225 0.61 . . . . 0.0 111.658 -176.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 53.2 p -140.64 143.26 35.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.077 1.351 . . . . 0.0 108.984 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 71.0 mt -108.1 144.52 35.36 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 169.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.0 p -83.34 177.19 8.61 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.131 0.878 . . . . 0.0 110.557 170.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -64.92 -65.96 0.61 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.815 0.846 . . . . 0.0 111.772 -169.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.44 -29.5 70.56 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.727 -0.608 . . . . 0.0 110.436 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.19 -46.85 85.11 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.226 0.61 . . . . 0.0 111.002 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -55.07 -48.52 73.39 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 169.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -55.89 -41.61 74.74 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.499 -0.751 . . . . 0.0 110.972 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -56.11 -54.85 40.09 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.877 1.271 . . . . 0.0 110.067 173.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 tt -44.96 -55.45 5.49 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 124.276 1.03 . . . . 0.0 110.304 174.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.88 -51.91 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-O 119.336 -0.364 . . . . 0.0 110.428 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -37.61 81.6 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 118.413 0.551 . . . . 0.0 110.821 -174.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -55.12 6.26 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -74.21 -52.51 12.2 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.86 -0.525 . . . . 0.0 110.531 -171.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 22.4 mt -90.35 67.34 6.68 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.15 76.22 0.24 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.66 0.784 . . . . 0.0 111.895 -174.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 5.4 mt -56.76 -42.04 76.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 123.657 0.783 . . . . 0.0 110.431 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.93 -66.54 1.78 Allowed Glycine 0 CA--C 1.527 0.804 0 N-CA-C 109.198 -1.561 . . . . 0.0 109.198 -171.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 17.6 m -72.75 64.78 0.67 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.538 1.135 . . . . 0.0 110.33 174.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -77.18 51.2 0.81 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.801 1.241 . . . . 0.0 111.587 -174.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 75.4 mt -69.35 -36.51 76.96 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.554 0.741 . . . . 0.0 109.785 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -74.64 30.16 0.09 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.599 1.16 . . . . 0.0 112.497 -175.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -54.55 -46.24 73.61 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.987 0.915 . . . . 0.0 111.177 -172.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.05 -46.46 53.12 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.522 0.729 . . . . 0.0 111.04 174.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -66.21 -42.25 89.02 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 44.0 mm -56.14 -49.72 74.45 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 CA-C-O 118.986 -0.53 . . . . 0.0 110.161 175.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 19.4 m -69.92 -32.71 52.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 119.492 1.042 . . . . 0.0 112.373 -177.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -60.49 -51.22 70.4 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.165 0.893 . . . . 0.0 109.803 170.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tt -54.49 -45.46 73.24 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.979 0.912 . . . . 0.0 110.889 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 56.6 ttp -57.6 -55.48 34.33 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.765 1.226 . . . . 0.0 109.066 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -48.68 -53.42 18.83 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.718 0.807 . . . . 0.0 109.9 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -55.57 -51.32 67.51 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.831 0.452 . . . . 0.0 110.981 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.8 mt -53.69 -54.17 41.63 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.864 0.466 . . . . 0.0 111.041 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -76.86 -30.91 56.47 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -169.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -74.98 -12.36 60.32 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 122.122 -0.361 . . . . 0.0 110.797 -176.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.71 -27.78 63.25 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.254 0.622 . . . . 0.0 110.901 174.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -133.11 -142.38 0.21 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.429 0.692 . . . . 0.0 109.431 170.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -77.32 46.72 0.52 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.28 1.432 . . . . 0.0 113.388 -168.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 63.33 28.43 15.63 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.174 0.99 . . . . 0.0 109.807 -173.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -139.3 140.54 37.63 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 4.1 t -79.51 109.28 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -78.05 144.83 36.27 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 119.009 0.822 . . . . 0.0 109.383 173.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -40.97 -51.89 3.18 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.737 1.215 . . . . 0.0 113.033 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -59.67 -46.07 90.15 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.6 0.714 . . . . 0.0 110.215 -175.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -69.01 -35.84 77.13 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.54 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -54.63 -53.01 60.3 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.804 0.442 . . . . 0.0 110.064 170.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 30.3 mm -57.49 -55.54 20.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 118.733 0.697 . . . . 0.0 110.219 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 53.5 m -48.73 -50.44 33.68 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.981 -0.449 . . . . 0.0 111.3 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -62.31 -42.72 99.61 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 123.066 0.546 . . . . 0.0 110.838 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 79.8 mt -57.59 -36.97 72.44 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.517 1.053 . . . . 0.0 109.854 173.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.57 -50.18 64.71 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 168.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.13 -47.31 75.25 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.663 -0.904 . . . . 0.0 111.01 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.2 tp -56.03 -47.67 77.43 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.781 1.232 . . . . 0.0 109.976 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.02 -49.36 73.91 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.75 0.82 . . . . 0.0 110.647 174.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 14.8 tpt -57.72 -42.98 84.94 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.439 0.696 . . . . 0.0 111.59 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.71 -48.02 90.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 124.26 1.024 . . . . 0.0 109.557 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -54.38 -50.63 67.05 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 69.88 -52.73 0.63 Allowed 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 126.397 1.879 . . . . 0.0 114.791 168.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -49.25 -42.07 39.62 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 124.098 0.959 . . . . 0.0 109.6 169.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.48 -43.2 62.1 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.549 0.74 . . . . 0.0 111.676 172.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 17.4 mt -69.02 -57.05 5.97 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -59.07 -39.92 83.62 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.323 0.249 . . . . 0.0 111.634 -173.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 117.43 -1.761 . . . . 0.0 109.955 177.22 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 mmt . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 121.256 0.55 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.33 -53.09 32.72 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.958 -0.464 . . . . 0.0 110.408 -172.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.8 -57.25 6.11 Favored Pre-proline 0 N--CA 1.451 -0.422 0 C-N-CA 125.563 1.545 . . . . 0.0 111.829 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -39.48 -51.83 2.65 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 124.26 3.307 . . . . 0.0 115.489 171.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -72.03 -48.52 43.93 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 118.79 -1.164 . . . . 0.0 109.85 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -52.36 -46.01 65.96 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.856 0.462 . . . . 0.0 111.101 -176.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -64.89 -37.69 88.49 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 122.05 -0.406 . . . . 0.0 111.115 178.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.16 -54.53 28.29 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.866 -0.521 . . . . 0.0 111.012 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.8 pt -57.02 -43.06 80.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.2 -47.02 10.7 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 125.326 1.441 . . . . 0.0 112.601 170.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.67 -59.86 4.4 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.13 0.965 . . . . 0.0 109.861 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -52.23 -47.15 65.85 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.363 0.665 . . . . 0.0 110.237 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.4 mt -62.75 -51.16 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 122.783 0.433 . . . . 0.0 110.115 -177.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.06 -52.31 50.02 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.9 mt -52.92 -54.18 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -53.15 -63.85 1.01 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.94 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -71.89 -22.14 61.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 118.824 -0.608 . . . . 0.0 112.523 -169.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -59.8 -55.72 30.74 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 169.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -63.07 -36.31 83.17 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 119.06 -0.495 . . . . 0.0 111.442 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.4 m -57.94 -59.12 5.74 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 119.271 0.941 . . . . 0.0 109.944 170.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.33 -42.45 9.3 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 125.687 1.613 . . . . 0.0 111.93 -177.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -47.06 -41.08 16.31 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.978 0.911 . . . . 0.0 112.771 175.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -98.25 -35.83 10.22 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.844 0.857 . . . . 0.0 112.213 177.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.57 153.37 14.04 Favored Glycine 0 CA--C 1.529 0.937 0 CA-C-N 118.911 0.778 . . . . 0.0 111.454 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -75.08 73.12 2.23 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.493 0.717 . . . . 0.0 109.693 177.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -141.88 144.01 33.61 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.611 1.164 . . . . 0.0 108.962 -175.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -80.52 52.38 1.64 Allowed 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.321 -0.862 . . . . 0.0 111.047 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.6 p -143.63 158.17 43.87 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.37 1.068 . . . . 0.0 109.257 175.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.7 mt -123.25 130.9 53.37 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 124.429 1.092 . . . . 0.0 108.201 169.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.8 t -81.88 170.21 15.92 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.447 0.641 . . . . 0.0 110.611 169.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -58.11 9.28 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.211 1.404 . . . . 0.0 113.207 -169.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.6 -30.24 65.58 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.846 -0.534 . . . . 0.0 110.3 -176.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -63.16 -46.48 86.97 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.752 -0.592 . . . . 0.0 109.499 174.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -55.8 -48.75 74.85 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 172.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HZ2' ' CG1' ' A' ' 54' ' ' VAL . 39.6 ttmt -53.31 -46.8 69.55 Favored 'General case' 0 C--O 1.224 -0.276 0 O-C-N 121.189 -0.944 . . . . 0.0 110.223 175.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.55 -46.09 80.87 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.807 0.731 . . . . 0.0 110.923 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 tt -51.36 -53.35 37.27 Favored 'General case' 0 CA--C 1.522 -0.111 0 C-N-CA 123.61 0.764 . . . . 0.0 109.711 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.2 mt -62.93 -52.31 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.42 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -52.64 -39.14 61.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.517 0.727 . . . . 0.0 111.098 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tpmt? -72.58 -60.47 2.22 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.791 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -68.79 -58.66 3.88 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.664 0.386 . . . . 0.0 110.757 -169.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -89.94 75.63 7.18 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.16 70.44 0.15 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.108 1.363 . . . . 0.0 112.397 -170.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.3 pt -69.47 80.47 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 124.453 1.101 . . . . 0.0 111.749 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.46 -31.83 14.51 Favored Glycine 0 CA--C 1.533 1.2 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 168.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 p -68.76 64.73 0.12 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.45 1.9 . . . . 0.0 109.61 168.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -48.08 -34.22 9.33 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 126.098 1.759 . . . . 0.0 113.829 -169.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -49.21 -37.17 21.97 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.209 1.004 . . . . 0.0 111.399 177.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -58.49 -14.86 8.87 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -46.35 -36.43 6.36 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.345 0.975 . . . . 0.0 111.625 169.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.21 -45.24 79.96 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.925 0.393 . . . . 0.0 111.44 173.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -63.86 -45.49 89.25 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 174.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 mm -55.13 -42.81 67.27 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.297 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.413 ' CG1' ' HZ2' ' A' ' 35' ' ' LYS . 7.9 m -65.9 -39.7 85.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 120.492 1.496 . . . . 0.0 112.497 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -59.51 -51.83 68.17 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.843 0.747 . . . . 0.0 109.693 173.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 tt -53.67 -43.87 69.2 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.974 0.91 . . . . 0.0 111.299 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -63.11 -42.89 99.64 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.452 1.101 . . . . 0.0 109.419 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.25 -48.09 81.51 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 172.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -59.72 -36.46 76.6 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 122.025 -0.422 . . . . 0.0 111.922 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mt -65.56 -62.43 1.52 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.536 0.734 . . . . 0.0 109.948 170.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -60.75 -24.21 65.54 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 123.812 0.845 . . . . 0.0 113.226 -172.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.4 ttp-105 -27.17 -50.71 0.05 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 127.439 2.295 . . . . 0.0 111.278 168.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -38.0 -53.53 1.36 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.566 1.546 . . . . 0.0 113.65 176.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? -149.41 49.07 0.96 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.274 0.63 . . . . 0.0 109.466 -174.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 p30 46.92 -78.49 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.618 2.367 . . . . 0.0 114.552 171.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -66.22 -31.79 72.82 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 125.567 1.547 . . . . 0.0 111.388 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -141.66 164.99 28.71 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -172.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.8 p -116.73 139.79 42.03 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 125.523 1.529 . . . . 0.0 107.493 168.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -92.86 153.54 18.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.043 0.937 . . . . 0.0 109.956 175.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -39.47 -53.51 2.04 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.885 1.674 . . . . 0.0 113.655 177.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -58.38 -46.57 86.1 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.511 -0.743 . . . . 0.0 110.228 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -72.36 -31.96 66.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.421 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -56.35 -50.61 71.02 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 168.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.9 mm -57.78 -54.45 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-N 118.578 0.626 . . . . 0.0 110.23 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.4 m -49.71 -49.07 49.24 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.578 0.627 . . . . 0.0 111.191 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -61.08 -45.41 94.84 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 122.564 0.346 . . . . 0.0 110.443 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.48 -34.72 71.2 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.77 0.714 . . . . 0.0 110.515 173.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.31 -51.69 57.08 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 169.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.31 -46.36 72.79 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.875 -0.779 . . . . 0.0 110.38 175.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 tp -60.69 -42.48 97.24 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.635 0.774 . . . . 0.0 110.659 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.44 -39.57 83.97 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 121.654 -0.653 . . . . 0.0 110.821 174.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -61.48 -50.33 73.16 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 122.068 -0.395 . . . . 0.0 109.978 170.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.9 mm -52.39 -41.59 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 124.154 0.981 . . . . 0.0 110.987 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.1 m-30 -51.1 -37.05 43.63 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.025 0.375 . . . . 0.0 111.022 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 35.5 t30 68.84 -64.58 0.32 Allowed 'General case' 0 C--N 1.34 0.174 0 C-N-CA 127.259 2.224 . . . . 0.0 112.442 172.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -49.29 -41.21 37.41 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.096 1.358 . . . . 0.0 110.387 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.71 -37.34 65.74 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.905 0.882 . . . . 0.0 112.266 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 83.2 mt -83.61 -54.09 5.19 Favored 'General case' 0 C--N 1.339 0.111 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 175.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -61.25 -38.17 85.71 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.065 0.546 . . . . 0.0 112.019 -169.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.13 0 CA-C-O 117.124 -1.931 . . . . 0.0 111.644 -179.022 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.42 -62.21 0.38 Allowed 'General case' 0 C--O 1.232 0.17 0 C-N-CA 129.622 3.169 . . . . 0.0 110.927 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.73 -50.17 5.46 Favored Pre-proline 0 N--CA 1.449 -0.518 0 C-N-CA 128.32 2.648 . . . . 0.0 113.157 177.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -59.42 -41.04 61.67 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 121.604 1.536 . . . . 0.0 114.47 -171.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 66.0 tp -81.02 -45.45 16.55 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.157 0.435 . . . . 0.0 110.276 171.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -52.46 -41.93 63.74 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 119.301 -0.38 . . . . 0.0 111.501 -175.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -58.11 -40.99 82.59 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.534 0.606 . . . . 0.0 110.888 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.94 -53.2 15.85 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 121.882 -0.511 . . . . 0.0 110.503 -174.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 35.5 pt -57.69 -42.26 81.22 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.109 173.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.58 -43.59 15.6 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 125.42 1.486 . . . . 0.0 112.44 170.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -59.52 5.21 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 118.159 0.979 . . . . 0.0 109.842 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -51.66 -47.14 63.89 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 123.125 0.57 . . . . 0.0 110.394 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 53.8 mt -61.68 -51.97 66.41 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.41 -53.23 39.52 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 9.0 mt -49.94 -60.86 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 175.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -51.43 -51.02 58.41 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.029 0.442 . . . . 0.0 111.65 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -72.44 -28.86 63.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.472 -170.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -62.51 -55.74 24.61 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 169.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -61.86 -44.63 96.43 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -174.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.9 p -67.85 -46.51 71.54 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.3 -0.875 . . . . 0.0 109.722 174.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.87 -43.15 8.18 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 124.34 0.971 . . . . 0.0 112.229 174.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.94 -44.57 40.75 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.652 0.781 . . . . 0.0 112.288 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -93.26 -19.09 21.74 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.607 0.763 . . . . 0.0 111.213 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.68 37.93 95.05 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.238 0.923 . . . . 0.0 112.161 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -85.99 -61.97 1.63 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.062 0.945 . . . . 0.0 110.722 -177.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 6.6 tptm -174.66 -163.06 0.13 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -76.86 51.82 0.81 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.744 0.783 . . . . 0.0 109.906 171.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 15.9 p -144.52 136.98 26.53 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 126.978 2.111 . . . . 0.0 106.789 -169.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 65.5 mt -99.58 152.0 20.53 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 168.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 87.6 p -88.49 159.9 17.75 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 166.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -48.51 -48.05 38.52 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.297 1.039 . . . . 0.0 113.167 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -78.69 -31.57 46.66 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.698 -0.626 . . . . 0.0 110.909 -177.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -61.07 -42.15 97.96 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.429 -0.794 . . . . 0.0 109.583 171.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -56.85 -50.09 73.5 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 172.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -53.11 -44.92 68.01 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.236 0.926 . . . . 0.0 110.799 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -55.42 -50.69 69.14 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 117.883 0.31 . . . . 0.0 110.297 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tt -49.68 -53.77 22.57 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 124.075 0.95 . . . . 0.0 110.5 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 44.9 mt -61.78 -55.21 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 O-C-N 121.965 -0.459 . . . . 0.0 110.436 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -58.1 -39.9 79.82 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.62 0.646 . . . . 0.0 110.957 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -81.12 -37.57 28.66 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -174.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -81.27 -68.2 0.71 Allowed 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.777 0.798 . . . . 0.0 109.569 172.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.2 mt -85.25 61.63 6.99 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.816 1.246 . . . . 0.0 108.774 -173.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 7.3 m -70.24 73.15 0.47 Allowed 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.577 1.151 . . . . 0.0 112.407 -173.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.55 131.04 19.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 169.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.47 -50.77 53.45 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 -178.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.1 t -74.51 76.48 1.96 Allowed 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -62.61 -5.9 3.05 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 81.9 mt -55.22 -32.95 62.68 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.419 -0.8 . . . . 0.0 109.308 166.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -58.43 -7.64 0.96 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.23 1.012 . . . . 0.0 113.045 172.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -51.51 -29.15 15.64 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 120.059 1.3 . . . . 0.0 111.443 172.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.69 -48.69 69.26 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.327 0.512 . . . . 0.0 111.47 169.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.32 -45.47 93.07 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 27.7 mm -55.92 -40.29 61.77 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.305 0 CA-C-O 117.972 -1.013 . . . . 0.0 111.31 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.254 8.5 m -68.04 -37.71 78.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 120.735 1.607 . . . . 0.0 112.41 177.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -59.81 -52.29 66.1 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.111 0.869 . . . . 0.0 109.546 173.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.19 -44.03 71.23 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.153 0.581 . . . . 0.0 111.048 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -62.83 -40.89 98.79 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.196 0.998 . . . . 0.0 109.547 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -58.29 -48.73 79.57 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 173.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -62.22 -32.44 73.1 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mt -66.54 -71.32 0.2 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 168.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . 0.268 5.1 p-10 -55.35 -25.62 36.05 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 125.173 1.389 . . . . 0.0 113.983 -169.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 51.7 ttp85 -37.14 -47.13 0.75 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.197 1.399 . . . . 0.0 111.217 169.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -43.92 -37.34 2.83 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -150.55 55.23 0.91 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.798 1.239 . . . . 0.0 107.853 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.267 4.7 p-10 50.56 -68.03 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 128.215 2.606 . . . . 0.0 115.996 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -125.7 -4.28 7.1 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.242 1.817 . . . . 0.0 111.681 -173.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -118.98 159.75 23.27 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.563 1.145 . . . . 0.0 108.887 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 3.6 t -118.27 108.64 24.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 125.172 1.389 . . . . 0.0 108.563 171.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -79.9 143.86 33.9 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.36 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -39.76 -60.4 1.0 Allowed 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -171.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -58.11 -35.66 71.77 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.278 -0.888 . . . . 0.0 111.28 -177.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -76.28 -36.07 58.58 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -55.74 -52.55 63.54 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 168.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 26.8 mm -55.61 -53.24 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 93.2 m -51.37 -48.8 62.39 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.88 0.472 . . . . 0.0 111.136 178.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -62.58 -41.92 99.24 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.988 -0.53 . . . . 0.0 110.51 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 71.2 mt -57.53 -34.23 68.92 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.68 1.127 . . . . 0.0 110.466 173.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.11 -52.08 54.57 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 168.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.35 -39.53 67.19 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.433 -1.039 . . . . 0.0 111.507 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 14.0 tp -65.58 -42.53 91.62 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.999 0.92 . . . . 0.0 110.015 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.38 -45.38 80.57 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.117 0.567 . . . . 0.0 110.169 170.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 33.9 ttp -64.08 -32.74 74.41 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.638 -0.664 . . . . 0.0 112.329 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 65.2 mt -71.25 -41.53 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 124.146 0.978 . . . . 0.0 110.625 174.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 5.6 m-30 -53.28 -46.17 69.19 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 169.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 72.58 -61.01 0.51 Allowed 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 126.511 1.925 . . . . 0.0 113.369 167.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -50.7 -43.3 57.71 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.654 0.782 . . . . 0.0 109.558 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.04 -45.75 16.22 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.939 0.896 . . . . 0.0 111.927 173.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 11.1 mt -66.82 -25.59 66.51 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-O 119.187 -0.435 . . . . 0.0 111.719 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -75.11 -53.84 8.16 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 174.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 117.314 -1.825 . . . . 0.0 110.179 173.193 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.37 -62.34 0.27 Allowed 'General case' 0 C--O 1.233 0.218 0 C-N-CA 129.664 3.186 . . . . 0.0 111.169 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 p -39.57 -44.39 3.36 Favored Pre-proline 0 CA--C 1.539 0.545 0 C-N-CA 127.667 2.387 . . . . 0.0 114.288 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -59.61 -43.01 42.07 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 121.852 1.701 . . . . 0.0 112.582 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -80.01 -44.49 20.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -50.22 -46.15 54.4 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.338 0.655 . . . . 0.0 110.591 -176.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -63.12 -34.45 77.64 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.872 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.59 -50.66 23.89 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.66 -0.65 . . . . 0.0 110.868 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.7 pt -59.02 -40.21 80.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 119.769 -0.773 . . . . 0.0 109.273 172.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.52 -45.96 37.4 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 125.017 1.294 . . . . 0.0 112.25 170.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -61.56 2.43 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.242 1.021 . . . . 0.0 109.63 178.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.412 ' CD2' HD11 ' A' ' 77' ' ' LEU . 7.4 mt -48.69 -48.85 39.79 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.417 1.087 . . . . 0.0 111.255 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mm -59.73 -55.45 23.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.399 1.08 . . . . 0.0 109.64 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.53 -47.57 87.31 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 125.111 1.339 . . . . 0.0 110.148 -176.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -55.1 -57.96 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 175.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -54.07 -54.1 44.06 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.001 0.429 . . . . 0.0 110.622 -173.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -69.6 -28.75 66.21 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.695 -0.669 . . . . 0.0 112.135 -173.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -57.09 -55.01 40.2 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.234 0.925 . . . . 0.0 108.703 169.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -63.18 -54.0 44.37 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-O 118.913 -0.565 . . . . 0.0 111.098 -178.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.2 m -49.83 -48.35 50.95 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.737 1.153 . . . . 0.0 111.241 174.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.34 -44.64 58.39 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 124.691 1.139 . . . . 0.0 111.802 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -46.75 -44.35 18.89 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 117.679 0.739 . . . . 0.0 111.823 177.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -99.96 16.89 22.43 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.312 0.645 . . . . 0.0 111.893 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.8 30.79 73.65 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 123.662 0.648 . . . . 0.0 113.126 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -104.67 157.53 17.12 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 171.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.19 -93.14 0.28 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.972 0.909 . . . . 0.0 109.714 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -99.1 29.05 4.05 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.495 0.718 . . . . 0.0 110.721 -170.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.1 m -146.79 154.52 41.46 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.6 tt -148.28 135.78 20.59 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -167.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.5 t -79.58 164.94 23.44 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.994 0.816 . . . . 0.0 112.613 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -71.98 -51.95 19.44 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -169.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -62.85 -36.5 83.45 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 120.64 -1.288 . . . . 0.0 109.525 177.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -62.51 -43.55 98.53 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 121.971 -0.455 . . . . 0.0 110.943 174.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -52.8 -46.93 67.87 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 171.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -55.5 -45.13 77.08 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 119.194 -1.003 . . . . 0.0 110.491 176.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.27 -49.58 73.81 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.506 0.594 . . . . 0.0 110.775 175.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 tt -48.0 -51.53 23.53 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 124.306 1.042 . . . . 0.0 109.602 174.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.6 mt -60.7 -57.77 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-O 119.405 -0.331 . . . . 0.0 110.218 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -54.73 -37.47 65.95 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.159 0.436 . . . . 0.0 112.003 -175.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -79.98 -56.01 4.55 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 117.968 0.349 . . . . 0.0 110.94 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -80.8 -48.46 12.43 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.654 0.382 . . . . 0.0 110.835 -170.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mp -87.58 67.18 9.24 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.98 78.3 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.805 1.242 . . . . 0.0 112.417 -168.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.8 mt -51.5 -47.15 36.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 125.847 1.659 . . . . 0.0 112.608 -169.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.4 -63.02 3.38 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 -169.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.6 p -75.26 60.53 1.1 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.432 1.093 . . . . 0.0 110.457 174.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.46 -7.15 23.16 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.974 1.309 . . . . 0.0 113.324 -172.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.3 mt -52.61 -24.55 8.58 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.506 0.722 . . . . 0.0 111.348 169.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -66.12 1.27 1.56 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 173.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -43.84 -41.59 5.15 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 125.074 1.35 . . . . 0.0 113.039 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.86 -46.67 71.35 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.489 0.716 . . . . 0.0 111.141 175.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -65.82 -43.02 89.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.3 mm -56.91 -43.22 80.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 CA-C-O 118.084 -0.96 . . . . 0.0 111.404 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 m -69.28 -33.36 57.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 120.583 1.538 . . . . 0.0 112.374 179.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -59.5 -52.01 67.42 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.156 0.889 . . . . 0.0 109.477 170.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.64 -42.33 74.84 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.894 0.878 . . . . 0.0 111.434 176.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.7 ttp -58.13 -51.66 68.78 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.745 1.218 . . . . 0.0 108.431 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -53.5 -50.05 66.22 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -54.04 -51.88 62.64 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.034 0.379 . . . . 0.0 111.595 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.8 mt -53.8 -58.43 7.27 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.354 0.662 . . . . 0.0 110.862 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -68.59 -30.91 69.76 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 118.908 -0.568 . . . . 0.0 112.381 -172.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -46.94 -45.39 20.7 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 123.636 0.774 . . . . 0.0 110.6 -175.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -30.47 43.78 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.56 0.744 . . . . 0.0 112.668 -176.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -132.85 42.56 3.06 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.011 0.924 . . . . 0.0 109.553 172.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 p30 38.05 -85.94 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 127.559 2.344 . . . . 0.0 115.369 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -69.87 -31.55 69.44 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.193 1.397 . . . . 0.0 111.53 -175.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -130.59 177.93 7.0 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.175 0.99 . . . . 0.0 109.578 -172.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.7 p -124.29 129.43 74.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 166.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -85.29 151.01 24.38 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -45.08 -51.61 9.99 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.561 0.745 . . . . 0.0 112.968 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -58.29 -46.46 86.06 Favored 'General case' 0 CA--C 1.53 0.205 0 O-C-N 121.83 -0.544 . . . . 0.0 110.008 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -67.19 -37.34 83.51 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.241 0.616 . . . . 0.0 110.296 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -54.78 -53.65 52.36 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.496 0.718 . . . . 0.0 110.196 170.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.2 mm -59.63 -48.21 88.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 118.712 0.687 . . . . 0.0 110.397 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.0 m -50.58 -51.72 45.71 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.52 0.676 . . . . 0.0 109.913 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -60.94 -45.47 94.59 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.61 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.412 HD11 ' CD2' ' A' ' 12' ' ' LEU . 74.2 mt -57.34 -37.95 73.35 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.274 0.943 . . . . 0.0 110.658 175.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.73 -52.18 50.16 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 169.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.31 -42.9 78.33 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.253 -0.557 . . . . 0.0 111.449 175.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.3 tp -57.91 -49.38 76.95 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.835 1.254 . . . . 0.0 109.672 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.57 -48.8 76.57 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.202 0.601 . . . . 0.0 110.133 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 41.3 ttp -61.1 -38.57 86.76 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 122.771 0.428 . . . . 0.0 111.686 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.0 mt -68.64 -44.12 82.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 124.972 1.309 . . . . 0.0 109.883 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -52.73 -48.97 66.32 Favored 'General case' 0 C--N 1.34 0.167 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 171.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 71.51 -58.67 0.57 Allowed 'General case' 0 N--CA 1.461 0.091 0 C-N-CA 126.185 1.794 . . . . 0.0 113.651 167.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -45.91 -49.05 16.06 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.553 1.141 . . . . 0.0 109.175 172.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -39.42 -43.88 1.28 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.777 1.631 . . . . 0.0 112.819 173.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 42.1 mt -60.54 -48.94 79.56 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 120.887 0.375 . . . . 0.0 110.385 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -75.34 -35.59 61.15 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.517 0.727 . . . . 0.0 110.367 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.242 0 CA-C-O 117.372 -1.793 . . . . 0.0 110.105 174.867 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.24 20.34 1.06 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -39.46 -52.57 4.49 Favored Pre-proline 0 CA--C 1.536 0.425 0 C-N-CA 126.642 1.977 . . . . 0.0 115.059 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -63.1 -34.52 69.23 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 CA-C-N 120.896 1.356 . . . . 0.0 113.426 -169.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 44.9 tp -82.26 -46.05 14.2 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.766 0.712 . . . . 0.0 110.751 169.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -50.43 -43.2 54.91 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.05 0.54 . . . . 0.0 111.106 -175.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -56.04 -42.44 76.55 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.186 0.448 . . . . 0.0 111.474 176.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.24 -53.44 16.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.785 -0.572 . . . . 0.0 110.514 -174.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 20.5 pt -58.53 -40.69 79.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 119.774 -0.77 . . . . 0.0 108.984 174.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.82 -43.17 29.99 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 125.389 1.471 . . . . 0.0 112.271 170.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.98 -59.05 6.05 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.456 1.128 . . . . 0.0 109.655 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -51.19 -47.72 62.14 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 123.163 0.585 . . . . 0.0 110.431 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.41 -47.57 92.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.469 0.708 . . . . 0.0 109.941 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.27 -52.79 50.51 Favored Glycine 0 CA--C 1.521 0.427 0 C-N-CA 124.75 1.167 . . . . 0.0 110.232 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.3 mt -51.35 -60.74 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 107.715 -1.216 . . . . 0.0 107.715 174.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -48.14 -59.28 3.52 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.713 -175.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -74.92 -21.98 58.88 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 119.332 -0.366 . . . . 0.0 111.633 -170.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -60.97 -51.48 69.08 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 168.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -61.14 -46.99 88.28 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.83 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.3 p -61.65 -51.28 69.09 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.204 0.911 . . . . 0.0 110.118 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.28 -38.98 27.35 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 125.609 1.576 . . . . 0.0 112.536 176.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -42.49 -41.69 3.04 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.607 1.163 . . . . 0.0 112.593 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -120.66 31.32 6.49 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.821 0.848 . . . . 0.0 110.548 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.2 22.83 56.59 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 123.894 0.759 . . . . 0.0 113.517 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -83.13 159.91 21.98 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 170.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -115.66 -112.86 0.34 Allowed 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.437 0.695 . . . . 0.0 111.004 -173.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -82.49 33.12 0.41 Allowed 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.442 -0.786 . . . . 0.0 111.945 -169.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 14.3 t -155.79 161.62 40.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.949 1.3 . . . . 0.0 108.096 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 62.8 mt -127.51 158.77 36.54 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.768 1.627 . . . . 0.0 108.116 172.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 60.5 p -100.04 172.54 7.14 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.653 1.181 . . . . 0.0 110.247 171.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -58.44 -57.37 13.24 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -169.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -78.93 -24.62 43.9 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.814 -0.554 . . . . 0.0 110.429 -174.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -62.83 -46.83 86.1 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 169.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -59.95 -47.99 83.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 172.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -50.26 -47.72 55.06 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.48 -0.763 . . . . 0.0 109.761 175.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -56.4 -50.56 71.27 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.635 0.774 . . . . 0.0 111.085 176.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tt -46.37 -55.28 7.56 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 123.119 0.567 . . . . 0.0 110.114 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 69.6 mt -58.63 -55.64 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-O 119.037 -0.506 . . . . 0.0 110.414 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -62.01 -34.6 76.5 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 119.411 1.005 . . . . 0.0 112.028 -174.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -79.72 -39.52 30.97 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.648 0.658 . . . . 0.0 111.288 -176.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -80.33 -58.2 3.24 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.334 0.516 . . . . 0.0 110.647 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -99.28 67.0 1.54 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.863 2.065 . . . . 0.0 108.4 -176.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.2 m -71.41 75.76 0.76 Allowed 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.569 -0.707 . . . . 0.0 111.412 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.71 76.01 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-O 122.481 1.134 . . . . 0.0 111.127 175.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.92 -146.1 32.27 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.9 m -74.56 56.79 0.7 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.956 0.902 . . . . 0.0 110.885 176.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 47.0 mttp 51.72 47.24 25.18 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.682 1.193 . . . . 0.0 109.955 -175.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.39 -56.47 17.97 Favored 'General case' 0 CA--C 1.523 -0.09 0 O-C-N 121.517 -0.74 . . . . 0.0 112.147 -168.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -75.97 35.83 0.14 Allowed 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.363 -0.836 . . . . 0.0 112.448 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -51.13 -47.38 62.02 Favored 'General case' 0 C--N 1.342 0.254 0 O-C-N 121.154 -0.966 . . . . 0.0 111.945 -173.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.08 -44.89 67.89 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.491 0.662 . . . . 0.0 110.73 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -68.97 -40.01 79.11 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 36.3 mm -56.99 -49.33 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-O 118.43 -0.795 . . . . 0.0 110.866 174.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.4 m -65.03 -37.76 81.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 120.199 1.363 . . . . 0.0 111.506 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -58.04 -49.73 75.86 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.885 0.766 . . . . 0.0 110.284 171.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tt -57.27 -42.86 82.4 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.496 -0.753 . . . . 0.0 111.187 177.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -59.86 -45.99 90.71 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.168 0.987 . . . . 0.0 109.489 176.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -55.48 -52.02 65.05 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -60.12 -28.49 67.91 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.295 -0.878 . . . . 0.0 112.74 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mt -68.83 -58.83 3.62 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.637 0.775 . . . . 0.0 110.524 171.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 40.2 p30 -71.45 -26.18 62.62 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -172.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -40.16 -43.11 1.59 Allowed 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 126.937 2.095 . . . . 0.0 111.388 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -69.87 -3.86 17.71 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.718 0.807 . . . . 0.0 112.735 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -130.36 -63.75 0.88 Allowed 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 125.017 1.327 . . . . 0.0 109.321 169.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 p30 176.65 -91.86 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 126.05 1.74 . . . . 0.0 108.518 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -109.46 -26.12 10.14 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.583 1.553 . . . . 0.0 110.261 175.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -79.8 160.43 26.14 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.741 0.701 . . . . 0.0 109.428 173.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 32.7 t -114.73 111.73 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 104.678 -2.342 . . . . 0.0 104.678 168.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -80.5 149.58 29.98 Favored 'General case' 0 C--N 1.332 -0.156 0 O-C-N 121.223 -0.923 . . . . 0.0 109.56 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -41.56 -55.79 2.77 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -59.48 -43.73 93.22 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 121.621 -0.674 . . . . 0.0 109.758 -175.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -68.39 -37.12 80.08 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.14 0.576 . . . . 0.0 110.182 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -55.11 -53.88 50.21 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.131 0.573 . . . . 0.0 110.148 170.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 23.3 mm -58.14 -51.39 71.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 118.602 0.637 . . . . 0.0 110.081 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 64.5 m -51.4 -51.37 55.34 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.553 0.741 . . . . 0.0 110.28 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -61.15 -45.03 96.3 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.408 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 38.8 mt -56.93 -35.08 68.64 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.096 0.862 . . . . 0.0 110.733 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.53 -53.66 41.86 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 169.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.02 -44.26 70.79 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 117.104 0.452 . . . . 0.0 111.417 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 tp -58.57 -48.55 80.55 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.176 0.99 . . . . 0.0 109.98 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.58 -37.39 75.68 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.975 0.91 . . . . 0.0 110.335 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 13.2 ttt -71.04 -41.22 71.1 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.462 0.705 . . . . 0.0 111.81 175.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.29 -37.9 65.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -71.97 61.86 0.43 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.164 0.507 . . . . 0.0 110.787 169.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -46.77 -39.17 11.25 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 125.457 1.503 . . . . 0.0 112.711 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -50.24 -43.32 52.95 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.076 0.55 . . . . 0.0 111.355 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.55 80.55 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.908 0.483 . . . . 0.0 110.073 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 62.6 mt -54.41 -47.52 72.66 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.193 0.521 . . . . 0.0 110.312 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -64.96 -47.3 78.11 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.733 1.213 . . . . 0.0 110.426 -175.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.315 0 CA-C-O 117.437 -1.757 . . . . 0.0 111.225 -175.303 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 ttt . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.68 -35.06 45.68 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.401 0.68 . . . . 0.0 111.622 -171.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.27 -48.31 6.33 Favored Pre-proline 0 CA--C 1.535 0.397 0 C-N-CA 126.702 2.001 . . . . 0.0 114.853 -172.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.87 -45.87 29.92 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.115 2.543 . . . . 0.0 111.886 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.3 tp -72.1 -46.41 56.83 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.127 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -51.47 -50.98 58.77 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 122.895 0.478 . . . . 0.0 110.587 -176.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -62.82 -36.96 84.89 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.35 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.6 -53.33 43.16 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 118.533 0.606 . . . . 0.0 111.502 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.8 pt -57.37 -44.08 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.53 -44.18 16.07 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 125.366 1.46 . . . . 0.0 112.657 170.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.18 -60.22 4.21 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.208 1.004 . . . . 0.0 109.754 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -52.05 -46.55 65.15 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.284 0.634 . . . . 0.0 110.17 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.2 mt -61.55 -50.07 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 123.1 0.56 . . . . 0.0 109.891 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.31 -53.88 42.17 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mt -50.22 -52.8 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -55.1 -60.56 3.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.949 0.404 . . . . 0.0 111.322 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -66.85 -26.55 66.96 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 118.681 -0.676 . . . . 0.0 112.549 -169.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -55.56 -55.7 28.88 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.082 0.855 . . . . 0.0 109.224 169.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -67.93 -39.14 83.56 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 119.144 -0.455 . . . . 0.0 111.56 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -57.28 -52.93 63.37 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.262 0.937 . . . . 0.0 109.971 172.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.54 -42.39 51.17 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 124.571 1.082 . . . . 0.0 111.395 177.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -51.47 -36.35 43.85 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 117.386 0.593 . . . . 0.0 112.412 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -107.45 22.72 15.55 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.601 0.76 . . . . 0.0 111.535 176.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.23 26.48 43.43 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 124.312 0.958 . . . . 0.0 113.282 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -96.22 155.63 16.68 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.998 0.919 . . . . 0.0 108.705 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -97.22 -118.05 0.13 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.463 1.105 . . . . 0.0 109.028 -175.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -80.85 43.74 0.7 Allowed 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.268 -0.895 . . . . 0.0 110.749 -173.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.0 m -154.13 152.84 30.88 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.328 1.451 . . . . 0.0 108.037 -173.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.2 mt -127.67 138.08 52.7 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 124.908 1.283 . . . . 0.0 107.862 170.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.8 t -79.4 150.3 31.38 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.534 0.606 . . . . 0.0 109.712 169.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -50.96 -47.94 61.16 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.747 1.219 . . . . 0.0 113.058 -169.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -70.92 -32.4 69.32 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.753 -0.592 . . . . 0.0 110.859 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.97 -41.88 86.1 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -55.68 -48.64 74.73 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 170.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -56.01 -43.76 78.03 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.047 -1.033 . . . . 0.0 110.323 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -56.2 -49.24 74.63 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.788 0.435 . . . . 0.0 110.904 175.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tt -49.43 -52.69 27.16 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.042 0.937 . . . . 0.0 109.59 174.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 50.2 mt -61.92 -55.77 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.371 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -54.16 -41.59 68.66 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 119.465 -0.302 . . . . 0.0 111.38 -176.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.0 -54.41 6.06 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 118.117 0.417 . . . . 0.0 110.646 -177.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -77.16 -52.45 9.24 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -171.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 mt -89.55 67.36 7.53 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.85 70.32 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.827 1.651 . . . . 0.0 113.42 -168.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 pt -68.14 93.19 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.631 1.173 . . . . 0.0 110.414 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.7 60.69 0.92 Allowed Glycine 0 CA--C 1.534 1.23 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 169.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.3 m -170.02 59.42 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 128.138 2.575 . . . . 0.0 106.465 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -62.03 -9.01 6.11 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -169.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -52.0 -37.29 52.69 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.913 0.779 . . . . 0.0 109.467 168.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -67.18 -7.62 25.0 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -53.52 -32.86 52.32 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 119.62 1.1 . . . . 0.0 111.631 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.28 -49.44 69.59 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.353 0.597 . . . . 0.0 110.735 171.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.57 -42.32 99.47 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 176.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.43 -43.52 77.92 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 CA-C-O 117.881 -1.057 . . . . 0.0 111.387 175.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.264 10.5 m -71.3 -32.72 47.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 120.902 1.683 . . . . 0.0 112.716 178.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -59.03 -51.52 69.72 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.6 1.091 . . . . 0.0 109.487 169.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tt -54.63 -42.08 70.81 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.339 1.056 . . . . 0.0 111.196 175.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 55.9 ttp -59.87 -48.17 82.77 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.081 0.952 . . . . 0.0 108.531 177.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -55.38 -48.89 73.62 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 175.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -55.06 -50.61 68.7 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.881 0.309 . . . . 0.0 111.654 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.2 mt -56.93 -58.66 7.18 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.101 0.56 . . . . 0.0 110.332 175.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.38 -19.0 63.83 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.96 0.904 . . . . 0.0 113.39 -171.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -42.0 -38.89 1.74 Allowed 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.651 1.18 . . . . 0.0 110.674 174.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -25.99 -55.76 0.07 Allowed 'General case' 0 C--N 1.341 0.201 0 C-N-CA 126.744 2.018 . . . . 0.0 113.173 167.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -161.91 64.06 0.24 Allowed 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 34.64 -64.66 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 130.452 3.501 . . . . 0.0 117.163 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -75.81 -25.14 56.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 124.924 1.29 . . . . 0.0 111.015 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -142.96 156.1 44.81 Favored 'General case' 0 C--N 1.343 0.306 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -170.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.6 p -113.16 130.01 67.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 126.557 1.943 . . . . 0.0 109.166 169.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.53 155.96 23.06 Favored 'General case' 0 C--N 1.34 0.186 0 CA-C-N 118.29 0.496 . . . . 0.0 110.21 176.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -45.2 -55.23 6.01 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -177.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -65.47 -38.71 90.58 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 118.984 -1.087 . . . . 0.0 110.389 -174.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.65 -34.26 76.58 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.839 -0.538 . . . . 0.0 110.952 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -55.88 -51.57 67.09 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.332 0.515 . . . . 0.0 110.045 168.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.8 mm -57.91 -50.44 77.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-N 118.609 0.641 . . . . 0.0 110.436 177.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.4 m -51.8 -47.49 64.24 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.324 1.05 . . . . 0.0 110.561 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -64.28 -44.44 91.7 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.154 178.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.6 mt -55.99 -33.14 64.56 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.335 0.97 . . . . 0.0 110.675 173.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.11 -49.56 71.05 Favored Glycine 0 CA--C 1.533 1.195 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 168.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.23 -44.13 83.51 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 121.624 -0.927 . . . . 0.0 110.939 173.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 tp -58.92 -44.71 91.37 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.584 0.754 . . . . 0.0 110.119 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.62 -47.78 81.25 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.481 0.712 . . . . 0.0 110.551 172.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.9 ttt -58.79 -37.9 77.37 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 122.017 -0.427 . . . . 0.0 111.576 177.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.6 mt -70.96 -42.25 77.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 125.01 1.324 . . . . 0.0 110.697 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -51.49 -50.31 60.14 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 170.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 72.06 -59.06 0.57 Allowed 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 126.245 1.818 . . . . 0.0 113.445 168.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -51.54 -41.33 61.0 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.792 0.837 . . . . 0.0 109.884 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.46 -41.2 6.11 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.642 1.177 . . . . 0.0 112.423 173.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 51.1 mt -61.4 -40.27 93.79 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.441 0.696 . . . . 0.0 110.349 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.38 -45.11 63.65 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.135 0 CA-C-O 117.454 -1.748 . . . . 0.0 110.247 175.116 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.472 0.638 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.51 -15.97 61.74 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -176.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.57 -50.09 5.17 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 126.038 1.735 . . . . 0.0 114.709 -174.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.46 -37.24 97.92 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 122.941 2.427 . . . . 0.0 112.773 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 53.8 tp -80.18 -46.8 15.73 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -49.55 -47.1 49.35 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 123.033 0.533 . . . . 0.0 110.82 -176.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -60.75 -37.89 83.32 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.29 -52.05 25.75 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 121.585 -0.697 . . . . 0.0 110.677 -177.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.6 pt -58.33 -42.78 84.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 119.61 -0.836 . . . . 0.0 108.984 174.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.92 -43.81 17.39 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 125.447 1.499 . . . . 0.0 112.138 170.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -59.33 5.59 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.167 0.983 . . . . 0.0 110.18 178.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -52.07 -46.31 65.09 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.152 0.581 . . . . 0.0 110.21 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.1 -50.84 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.104 0.562 . . . . 0.0 109.769 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.8 -53.52 38.98 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 9.9 mt -50.7 -56.24 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 175.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -49.31 -54.98 14.37 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 117.958 0.345 . . . . 0.0 110.58 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -73.33 -16.71 61.36 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -173.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -61.76 -50.66 71.48 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 120.53 1.514 . . . . 0.0 108.552 168.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -71.87 -56.37 5.84 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.739 0.816 . . . . 0.0 109.282 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 55.8 m -74.61 60.6 0.91 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.57 1.148 . . . . 0.0 109.154 167.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -164.88 -53.35 0.02 OUTLIER Glycine 0 CA--C 1.522 0.529 0 N-CA-C 104.782 -3.327 . . . . 0.0 104.782 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -48.48 -51.76 25.6 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.234 1.013 . . . . 0.0 109.538 168.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -93.27 38.05 1.04 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.489 0.316 . . . . 0.0 111.699 173.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.54 150.65 9.02 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -178.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -75.72 64.67 1.77 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.697 0.799 . . . . 0.0 111.308 -174.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -85.51 166.92 15.9 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.141 0.977 . . . . 0.0 109.936 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -100.04 18.62 18.06 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.046 0.938 . . . . 0.0 110.257 168.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 77.5 p -134.74 148.2 50.21 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 126.323 1.849 . . . . 0.0 107.238 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 tt -129.56 125.8 37.06 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 107.329 -1.359 . . . . 0.0 107.329 -176.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 92.3 p -78.96 160.72 27.1 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -169.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.66 -51.6 62.65 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.157 0.983 . . . . 0.0 112.181 -173.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -71.72 -42.43 67.32 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.064 -1.023 . . . . 0.0 110.357 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -57.68 -37.46 73.47 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.845 -0.535 . . . . 0.0 110.098 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -58.16 -50.01 75.02 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 121.821 -0.549 . . . . 0.0 109.627 173.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -54.11 -42.13 69.09 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.479 176.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -57.82 -50.45 73.23 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.217 0.207 . . . . 0.0 110.765 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 tt -50.07 -54.14 22.4 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.034 0.933 . . . . 0.0 109.423 176.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 50.4 mt -59.76 -59.37 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 118.939 -0.553 . . . . 0.0 110.149 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -52.46 -39.85 61.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 119.147 0.885 . . . . 0.0 111.071 -178.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -72.97 -53.16 11.93 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -81.51 -64.83 1.1 Allowed 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 122.163 0.982 . . . . 0.0 109.648 177.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 98.2 mt -82.53 64.07 7.0 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 123.581 0.752 . . . . 0.0 109.308 -174.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.6 m -69.69 75.4 0.43 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.214 1.006 . . . . 0.0 110.192 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -46.0 149.07 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 126.292 1.837 . . . . 0.0 111.474 -177.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -32.28 -60.91 0.35 Allowed Glycine 0 CA--C 1.53 1.002 0 C-N-CA 126.18 1.848 . . . . 0.0 114.584 -177.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 6.6 m -98.4 6.03 47.62 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 117.822 0.811 . . . . 0.0 112.701 -177.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? 59.82 -71.1 0.03 OUTLIER 'General case' 0 C--O 1.232 0.182 0 C-N-CA 127.493 2.317 . . . . 0.0 113.214 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 64.0 mt -78.42 49.22 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 124.966 1.306 . . . . 0.0 111.32 -177.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -82.48 49.49 1.46 Allowed 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 168.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -53.44 -49.35 67.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 124.725 1.21 . . . . 0.0 112.765 -164.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.58 -46.07 63.34 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 123.749 0.656 . . . . 0.0 110.662 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.7 mp0 -66.23 -45.5 80.45 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 9.1 mm -57.72 -45.47 86.82 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.524 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 19.0 m -72.12 -33.03 45.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 120.337 1.426 . . . . 0.0 112.416 -177.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -59.33 -55.36 35.8 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.272 0.942 . . . . 0.0 109.493 169.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 tt -54.17 -45.1 72.0 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.229 0.612 . . . . 0.0 111.074 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 35.8 ttp -57.95 -49.74 75.76 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.881 1.272 . . . . 0.0 108.737 178.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -54.0 -48.2 70.66 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.339 0.518 . . . . 0.0 109.673 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.11 -38.12 85.2 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -177.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.5 mt -65.48 -66.78 0.5 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.069 0.461 . . . . 0.0 110.278 170.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -61.51 -28.02 69.01 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -169.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 9.3 ptm85 -55.72 -30.44 61.16 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.671 1.123 . . . . 0.0 110.757 -171.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -33.94 -52.62 0.44 Allowed 'General case' 0 C--N 1.344 0.349 0 C-N-CA 124.471 1.108 . . . . 0.0 113.121 169.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -137.31 53.7 1.87 Allowed 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 172.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 p30 45.99 -75.33 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.505 2.322 . . . . 0.0 115.474 174.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -75.92 -29.54 58.42 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 125.287 1.435 . . . . 0.0 111.165 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -136.7 155.83 49.34 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.995 0.518 . . . . 0.0 112.359 -174.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.59 133.39 43.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 168.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -80.7 153.06 28.09 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-N 118.628 0.649 . . . . 0.0 110.292 174.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -39.87 -55.14 2.05 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.581 1.152 . . . . 0.0 113.583 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -65.6 -38.1 88.52 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 119.162 -1.015 . . . . 0.0 111.123 -175.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -70.79 -32.4 69.49 Favored 'General case' 0 C--O 1.228 -0.061 0 CA-C-N 119.042 0.837 . . . . 0.0 111.101 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -55.09 -52.33 63.56 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 168.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.0 mm -56.21 -51.34 64.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 O-C-N 122.168 -0.333 . . . . 0.0 110.521 176.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 45.9 m -53.72 -44.95 70.3 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.385 1.074 . . . . 0.0 111.114 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -68.72 -43.69 75.44 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 123.185 0.594 . . . . 0.0 110.128 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 83.3 mt -55.93 -35.94 67.19 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.976 0.807 . . . . 0.0 109.866 170.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.24 -50.28 63.07 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 168.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.67 -48.62 74.74 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 118.347 1.073 . . . . 0.0 111.194 175.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 tp -55.9 -48.64 75.26 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.423 1.089 . . . . 0.0 109.599 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.31 -45.1 88.64 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.667 0.787 . . . . 0.0 110.527 175.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 30.4 ttp -62.03 -42.18 98.89 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.733 0.413 . . . . 0.0 110.762 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.12 -40.63 83.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 123.61 0.764 . . . . 0.0 109.256 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -71.49 55.94 0.24 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.843 0.857 . . . . 0.0 111.939 171.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -40.06 -43.16 1.54 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 127.334 2.254 . . . . 0.0 111.871 169.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -53.15 -49.25 66.99 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.589 0.755 . . . . 0.0 110.63 174.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.14 -38.16 90.07 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.091 -0.381 . . . . 0.0 110.198 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 30.4 mt -57.56 -45.0 85.68 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.07 0.395 . . . . 0.0 110.968 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -43.81 97.83 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 174.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.202 0 CA-C-O 118.038 -1.423 . . . . 0.0 112.995 177.845 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.2 mtt . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.09 -28.15 39.13 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.161 0.584 . . . . 0.0 112.165 -170.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.16 -51.99 22.29 Favored Pre-proline 0 N--CA 1.449 -0.485 0 C-N-CA 125.184 1.394 . . . . 0.0 113.717 -171.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -51.9 -53.91 6.19 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.487 2.792 . . . . 0.0 112.685 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.7 tp -66.05 -45.48 81.23 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.453 -0.779 . . . . 0.0 109.988 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -53.55 -50.28 65.86 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 122.301 0.24 . . . . 0.0 110.689 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -61.44 -40.74 95.55 Favored 'General case' 0 CA--C 1.528 0.107 0 O-C-N 122.141 -0.35 . . . . 0.0 110.719 178.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.11 -54.91 34.53 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 121.918 -0.489 . . . . 0.0 111.716 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.9 pt -58.5 -42.86 85.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.1 -43.62 18.22 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 125.019 1.295 . . . . 0.0 112.512 170.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.42 -59.71 5.01 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.282 1.041 . . . . 0.0 109.973 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -51.27 -49.51 61.05 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.555 0.742 . . . . 0.0 109.842 178.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.17 -49.77 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.093 -176.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.08 -54.73 34.69 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 125.06 1.314 . . . . 0.0 109.982 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mt -49.9 -57.39 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -51.57 -59.27 4.46 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.851 0.358 . . . . 0.0 110.996 -177.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -69.31 -29.74 67.65 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -171.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -58.66 -48.35 81.37 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.635 0.652 . . . . 0.0 109.538 171.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -62.64 -48.99 76.95 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.219 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.7 m -46.84 -47.31 21.22 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 119.144 0.884 . . . . 0.0 110.298 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -41.44 -29.9 0.47 Allowed Glycine 0 CA--C 1.53 0.976 0 C-N-CA 126.463 1.982 . . . . 0.0 114.538 177.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -49.26 -47.73 46.41 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.716 1.258 . . . . 0.0 111.052 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -99.36 -39.57 8.33 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.817 0.847 . . . . 0.0 110.985 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.7 164.17 24.98 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 110.159 -1.176 . . . . 0.0 110.159 176.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -73.27 70.64 1.17 Allowed 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.69 -0.888 . . . . 0.0 110.929 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -104.39 150.96 24.05 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.926 1.69 . . . . 0.0 109.792 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -85.84 25.51 1.1 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.288 1.035 . . . . 0.0 111.433 174.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 p -142.46 114.23 8.04 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.64 1.576 . . . . 0.0 108.41 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.84 153.79 22.0 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 168.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.4 t -94.45 -179.29 4.85 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.638 0.654 . . . . 0.0 109.654 169.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -64.16 -67.53 0.42 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.647 1.179 . . . . 0.0 111.214 -169.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -60.68 -33.31 72.67 Favored 'General case' 0 C--O 1.226 -0.184 0 O-C-N 121.696 -0.628 . . . . 0.0 110.347 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -61.24 -47.11 87.58 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.111 0.564 . . . . 0.0 110.472 176.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -56.91 -48.6 77.85 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.693 -0.629 . . . . 0.0 109.372 171.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -54.75 -44.34 73.51 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.147 -0.971 . . . . 0.0 110.805 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -54.92 -52.46 62.85 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.351 1.461 . . . . 0.0 110.348 175.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -46.07 -53.43 10.24 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.803 0.841 . . . . 0.0 109.873 172.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.6 mt -63.71 -44.36 98.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.941 -0.474 . . . . 0.0 111.482 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -61.79 -44.66 96.43 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.909 -0.494 . . . . 0.0 109.694 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -78.9 -42.5 27.04 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 111.463 0.171 . . . . 0.0 111.463 -172.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -79.95 -60.12 2.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.8 mt -80.25 -47.32 14.78 Favored 'General case' 0 N--CA 1.461 0.102 0 O-C-N 121.899 -0.501 . . . . 0.0 110.402 -169.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.1 m 62.18 64.67 0.95 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.547 0.689 . . . . 0.0 111.159 172.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -12.25 11.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -177.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.16 -71.73 1.45 Allowed Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.292 0.948 . . . . 0.0 113.015 169.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.9 m -71.25 87.63 0.82 Allowed 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 122.179 -0.6 . . . . 0.0 109.529 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -56.86 -10.92 1.2 Allowed 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -171.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tt -48.05 -37.27 14.61 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.523 -0.736 . . . . 0.0 109.388 166.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -61.36 -15.79 39.7 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.501 1.12 . . . . 0.0 113.298 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.86 -39.28 25.17 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 119.902 1.228 . . . . 0.0 112.427 -175.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.28 -48.71 68.11 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.384 0.611 . . . . 0.0 111.104 173.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -61.39 -46.0 92.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.4 mm -55.7 -47.04 79.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-O 118.777 -0.63 . . . . 0.0 110.505 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.25 23.9 m -71.82 -32.21 43.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 119.466 1.03 . . . . 0.0 112.241 -177.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -59.62 -51.02 71.61 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.217 0.917 . . . . 0.0 109.251 169.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tt -55.0 -44.3 74.38 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.642 0.777 . . . . 0.0 111.202 176.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 62.6 ttp -58.02 -51.35 70.02 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.514 1.125 . . . . 0.0 108.984 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -52.52 -49.41 64.87 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 123.086 0.555 . . . . 0.0 109.926 175.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -60.22 -38.21 82.68 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.86 -0.525 . . . . 0.0 111.692 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mt -66.74 -52.63 42.2 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.318 0.647 . . . . 0.0 111.436 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -72.58 -33.72 66.96 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 121.843 -0.536 . . . . 0.0 112.094 -173.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.3 tpt85 -53.3 -37.95 62.69 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 123.098 0.559 . . . . 0.0 111.09 -169.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -50.05 -32.75 16.28 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.047 0.939 . . . . 0.0 112.166 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -137.45 56.82 1.76 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 168.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 p30 49.25 -87.68 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.634 1.973 . . . . 0.0 113.723 176.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -90.7 -35.0 15.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.514 1.126 . . . . 0.0 111.183 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -93.01 124.44 36.98 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.573 0.701 . . . . 0.0 110.177 -169.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.9 t -79.18 91.08 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 168.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -77.5 145.25 37.12 Favored 'General case' 0 CA--C 1.528 0.111 0 O-C-N 122.138 -0.352 . . . . 0.0 110.189 -175.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -45.62 -58.07 3.71 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -170.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -61.66 -34.67 76.13 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.022 -1.049 . . . . 0.0 110.828 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -68.0 -39.72 83.15 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.189 0.596 . . . . 0.0 109.41 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -55.48 -52.81 62.41 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.876 0.471 . . . . 0.0 110.304 169.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.8 mm -56.75 -52.09 58.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 118.462 0.573 . . . . 0.0 110.417 178.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.5 m -53.1 -48.7 67.58 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.169 0.988 . . . . 0.0 110.41 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -62.0 -44.24 97.14 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 119.167 -0.444 . . . . 0.0 110.43 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.15 -35.25 69.29 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.381 0.991 . . . . 0.0 110.202 173.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.59 -50.74 62.69 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 169.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.7 -47.47 79.85 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.538 -0.978 . . . . 0.0 111.201 176.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.5 tp -53.74 -49.58 67.86 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.433 1.493 . . . . 0.0 109.512 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.22 -44.39 88.19 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.024 0.929 . . . . 0.0 111.136 176.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 20.7 ttt -64.66 -41.24 96.24 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.992 -0.443 . . . . 0.0 111.046 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.45 -42.21 92.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 C-N-CA 124.371 1.068 . . . . 0.0 109.046 174.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.5 m-30 -72.11 57.59 0.35 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.349 0.66 . . . . 0.0 109.697 169.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -56.56 -35.24 67.92 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.363 -0.836 . . . . 0.0 111.892 -171.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -47.52 -43.74 25.09 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.482 1.113 . . . . 0.0 111.387 171.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.42 91.26 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 122.908 0.483 . . . . 0.0 110.852 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.21 -51.38 68.03 Favored 'General case' 0 CA--C 1.528 0.108 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 175.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.96 -36.71 70.62 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 176.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.224 0 CA-C-O 117.166 -1.908 . . . . 0.0 114.415 -178.113 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mpp? . . . . . 0 N--CA 1.473 0.711 0 CA-C-O 121.529 0.681 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.29 -29.71 70.03 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -38.87 -58.52 1.67 Allowed Pre-proline 0 CA--C 1.541 0.618 0 C-N-CA 126.247 1.819 . . . . 0.0 114.697 -172.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -46.15 -44.54 19.41 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.988 3.125 . . . . 0.0 114.229 174.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 tp -75.19 -46.03 36.7 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.977 0.808 . . . . 0.0 109.553 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -51.03 -48.19 61.52 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 123.444 0.698 . . . . 0.0 110.714 -177.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -61.14 -40.11 92.61 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 117.914 0.324 . . . . 0.0 111.301 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.36 -54.67 25.51 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.831 -0.543 . . . . 0.0 110.886 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 42.5 pt -58.13 -42.48 83.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 120.03 -0.668 . . . . 0.0 109.217 175.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.15 -43.76 13.85 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 126.016 1.769 . . . . 0.0 112.276 170.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.68 -61.08 2.88 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.802 0.841 . . . . 0.0 109.864 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -52.25 -46.22 65.69 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.767 0.827 . . . . 0.0 110.127 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 59.5 mt -58.5 -54.41 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 123.737 0.815 . . . . 0.0 109.846 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.83 -52.21 53.52 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mt -47.88 -48.9 11.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 123.405 0.682 . . . . 0.0 110.083 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -66.95 -64.14 0.91 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.21 0.529 . . . . 0.0 111.759 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.97 -31.05 70.64 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -166.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -63.83 -46.31 85.62 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 120.24 -0.584 . . . . 0.0 109.836 172.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -71.25 -44.22 65.7 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 119.255 -0.402 . . . . 0.0 111.879 -175.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.9 p -62.04 -46.96 86.85 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 119.261 0.937 . . . . 0.0 109.413 171.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.17 -47.16 8.25 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.27 0.938 . . . . 0.0 112.037 173.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -51.55 -35.08 39.47 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.932 0.893 . . . . 0.0 112.454 177.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.54 25.51 11.62 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.382 1.073 . . . . 0.0 111.962 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.51 -38.37 1.22 Allowed Glycine 0 CA--C 1.531 1.048 0 CA-C-O 118.782 -1.01 . . . . 0.0 115.573 168.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -77.95 53.71 1.2 Allowed 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.392 1.596 . . . . 0.0 114.201 -167.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm 11.17 -82.86 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 129.236 3.014 . . . . 0.0 116.124 175.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -94.08 14.74 18.95 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 -169.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t -138.05 148.01 44.65 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 124.487 1.115 . . . . 0.0 110.46 173.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 tt -133.72 121.23 21.63 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -169.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 25.3 p -78.91 170.82 16.09 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.508 0.67 . . . . 0.0 111.83 -171.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -57.43 -62.39 1.81 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.619 1.168 . . . . 0.0 112.221 -168.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -70.25 -30.76 67.88 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.639 -0.663 . . . . 0.0 110.487 -175.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -61.26 -43.37 98.99 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.461 -0.774 . . . . 0.0 109.501 173.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.23 -48.37 81.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 173.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -50.71 -46.41 58.94 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.489 -0.757 . . . . 0.0 110.666 175.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -58.9 -47.52 84.69 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 122.661 0.384 . . . . 0.0 110.869 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tt -50.8 -54.57 22.48 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.348 0.659 . . . . 0.0 110.03 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 80.5 mt -59.29 -53.58 46.13 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -56.86 -28.76 62.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 123.318 0.647 . . . . 0.0 111.721 -175.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -78.85 -58.3 3.31 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.439 0.563 . . . . 0.0 112.179 170.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -68.83 -69.57 0.32 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 122.753 1.264 . . . . 0.0 108.922 -175.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 65.7 mt -87.94 63.31 7.31 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 -176.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.5 t -69.63 88.37 0.51 Allowed 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 122.187 0.994 . . . . 0.0 111.912 -169.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.91 78.58 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 124.133 0.973 . . . . 0.0 111.732 174.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.0 -40.23 9.66 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 169.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.1 m -66.03 68.07 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.394 1.478 . . . . 0.0 110.169 168.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -33.09 9.15 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.415 1.486 . . . . 0.0 114.458 -169.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 81.3 mt -51.06 -39.77 56.77 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.198 0.523 . . . . 0.0 111.527 175.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -62.45 -11.27 15.02 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.468 0.707 . . . . 0.0 112.357 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -53.6 -27.05 24.55 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.079 0.854 . . . . 0.0 111.234 169.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.46 -47.49 72.87 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.293 0.497 . . . . 0.0 111.245 169.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -63.12 -43.46 98.34 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 37.5 mm -56.08 -43.95 77.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 CA-C-O 117.943 -1.027 . . . . 0.0 111.525 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 m -65.45 -33.05 61.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 120.88 1.673 . . . . 0.0 112.291 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -62.0 -50.3 72.59 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.116 -0.99 . . . . 0.0 109.779 171.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.27 -39.63 83.53 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.939 -0.476 . . . . 0.0 111.439 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.0 ttp -58.04 -53.46 58.05 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 125.085 1.354 . . . . 0.0 108.735 173.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -50.8 -50.65 55.74 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -55.53 -52.29 64.2 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 117.807 0.276 . . . . 0.0 111.04 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mt -53.7 -57.55 10.41 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 123.61 0.764 . . . . 0.0 111.624 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -63.77 -38.96 93.06 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 121.736 -0.602 . . . . 0.0 110.891 -178.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -59.01 -37.04 75.98 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.967 0.907 . . . . 0.0 110.022 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -47.67 -28.42 2.4 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.036 0.935 . . . . 0.0 111.709 174.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -140.44 59.47 1.55 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 166.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.288 3.6 p30 60.33 -61.32 0.07 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 127.828 2.451 . . . . 0.0 116.473 171.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -133.94 -37.36 0.9 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.376 1.07 . . . . 0.0 113.773 -169.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -133.29 128.62 36.18 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 -178.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 14.5 p -76.65 118.15 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -170.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -84.25 148.65 26.58 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -44.24 -60.46 1.9 Allowed 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -169.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -59.61 -38.59 81.68 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.322 -0.861 . . . . 0.0 110.909 -176.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 -66.23 -40.11 90.03 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.448 1.099 . . . . 0.0 110.549 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -55.46 -50.17 70.58 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.843 -0.535 . . . . 0.0 110.051 170.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.4 mm -57.6 -47.95 84.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.6 m -52.01 -47.71 64.82 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.964 0.906 . . . . 0.0 110.431 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -63.95 -45.06 90.85 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 122.671 0.388 . . . . 0.0 110.589 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.8 mt -57.42 -34.69 69.19 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.151 -0.968 . . . . 0.0 110.489 173.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.75 -49.42 70.6 Favored Glycine 0 CA--C 1.532 1.14 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 168.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.14 -50.89 63.62 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 117.368 0.584 . . . . 0.0 110.648 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.9 tp -56.4 -45.17 80.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.156 0.983 . . . . 0.0 110.312 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.77 89.04 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.348 0.659 . . . . 0.0 111.046 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 27.4 ptm -68.64 -33.24 73.66 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.133 0.879 . . . . 0.0 112.471 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 70.5 mt -56.41 -44.26 79.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -73.54 50.33 0.32 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.799 0.839 . . . . 0.0 111.342 169.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -41.15 -40.55 1.56 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 127.3 2.24 . . . . 0.0 112.127 171.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -54.47 -45.37 73.15 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.42 0.688 . . . . 0.0 111.151 176.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.75 94.2 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.942 0.497 . . . . 0.0 110.182 176.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.82 -51.71 68.81 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.927 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -66.78 -43.16 84.71 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.622 0.249 . . . . 0.0 110.748 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.26 0 CA-C-O 117.432 -1.76 . . . . 0.0 111.25 -178.484 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.5 mtp . . . . . 0 N--CA 1.472 0.668 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 74.66 -57.78 0.6 Allowed 'General case' 0 C--O 1.233 0.199 0 C-N-CA 128.008 2.523 . . . . 0.0 110.233 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -41.95 -48.26 10.81 Favored Pre-proline 0 CA--C 1.536 0.436 0 C-N-CA 125.172 1.389 . . . . 0.0 113.744 -176.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.82 -37.17 97.39 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.5 2.133 . . . . 0.0 113.284 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.1 tp -81.22 -46.43 14.84 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 118.349 0.522 . . . . 0.0 109.733 174.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -50.29 -45.56 54.6 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 123.819 0.848 . . . . 0.0 110.543 -176.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -59.98 -38.48 82.67 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 117.987 0.358 . . . . 0.0 111.707 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.6 -53.96 13.9 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.717 -0.614 . . . . 0.0 110.551 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.4 pt -57.93 -41.56 80.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 119.726 -0.789 . . . . 0.0 109.1 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.52 -43.21 20.65 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 125.852 1.691 . . . . 0.0 112.243 169.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.48 -60.36 3.97 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.548 1.174 . . . . 0.0 109.962 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -50.85 -47.63 60.21 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 123.442 0.697 . . . . 0.0 110.219 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.45 -49.19 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.253 0.621 . . . . 0.0 109.648 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.54 -53.43 46.04 Favored Glycine 0 CA--C 1.522 0.522 0 C-N-CA 124.427 1.013 . . . . 0.0 110.6 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.1 mt -49.55 -55.12 5.08 Favored 'Isoleucine or valine' 0 C--N 1.339 0.119 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 175.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -53.6 -55.85 22.22 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.331 0.586 . . . . 0.0 111.475 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.4 -19.82 65.45 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 118.089 -0.958 . . . . 0.0 113.545 -170.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -58.72 -52.31 66.23 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.343 1.429 . . . . 0.0 108.959 168.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -75.38 -40.89 57.51 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.726 -173.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 m -63.51 -36.83 85.07 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.22 -0.925 . . . . 0.0 110.602 170.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.86 -58.44 4.86 Favored Glycine 0 C--N 1.336 0.557 0 C-N-CA 125.69 1.614 . . . . 0.0 109.922 169.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -45.84 -49.2 15.56 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.075 0.95 . . . . 0.0 111.776 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -89.92 36.32 0.86 Allowed 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 177.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.91 43.84 7.45 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 123.97 0.795 . . . . 0.0 112.852 169.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.42 46.95 17.31 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 126.31 1.844 . . . . 0.0 113.597 170.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -76.84 177.17 7.86 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.257 0.551 . . . . 0.0 110.051 175.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -108.15 38.89 2.08 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 169.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.7 m -158.47 152.64 24.03 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.429 1.892 . . . . 0.0 106.037 -172.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.4 mt -122.3 140.23 52.87 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 170.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.2 m -77.2 151.26 35.29 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 168.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -49.14 -40.98 34.68 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -168.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -74.85 -32.36 61.9 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.778 -0.576 . . . . 0.0 111.464 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.87 -44.77 92.11 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 173.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -54.95 -49.87 70.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 170.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -54.74 -42.27 71.42 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.326 -0.859 . . . . 0.0 110.292 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -58.12 -50.29 74.0 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.375 0.534 . . . . 0.0 111.126 175.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -46.54 -54.13 9.95 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.423 0.689 . . . . 0.0 110.016 172.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.5 mt -61.15 -55.75 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 O-C-N 122.102 -0.374 . . . . 0.0 110.608 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -53.69 -39.82 65.48 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 122.528 0.331 . . . . 0.0 111.136 -176.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -77.97 -56.19 4.69 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.88 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -75.01 -55.48 5.7 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.047 0.451 . . . . 0.0 110.089 -171.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.0 mt -87.8 69.65 9.55 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.31 66.31 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.312 1.445 . . . . 0.0 114.691 -168.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.86 81.81 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 O-C-N 121.034 -1.041 . . . . 0.0 109.569 169.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.94 -29.3 8.17 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.896 1.236 . . . . 0.0 112.07 170.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 p -67.25 66.65 0.07 Allowed 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 126.224 1.81 . . . . 0.0 110.352 169.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -57.62 -15.63 8.09 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -174.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.1 mt -51.03 -36.68 40.89 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.0 -1.062 . . . . 0.0 110.821 169.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -64.42 -10.6 26.07 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.561 0.744 . . . . 0.0 112.957 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -50.4 -34.34 24.0 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 119.502 1.046 . . . . 0.0 111.474 177.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.8 -49.26 71.42 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.247 0.476 . . . . 0.0 111.312 172.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -60.18 -47.3 86.53 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 176.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.7 mm -54.74 -43.3 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.985 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.326 13.5 m -69.41 -32.93 55.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 120.362 1.437 . . . . 0.0 113.069 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -62.82 -47.55 82.91 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 119.072 -1.051 . . . . 0.0 109.318 169.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.83 -45.14 82.54 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.732 -0.605 . . . . 0.0 112.036 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -36.64 78.12 Favored 'General case' 0 C--N 1.34 0.159 0 O-C-N 121.073 -1.017 . . . . 0.0 109.706 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -54.89 -53.08 60.09 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 171.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -53.42 -51.93 61.02 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.563 0.345 . . . . 0.0 111.55 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mt -53.69 -54.46 37.54 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 122.941 0.496 . . . . 0.0 111.099 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -31.11 63.5 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.965 -0.54 . . . . 0.0 112.0 -170.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -48.14 -42.89 30.56 Favored 'General case' 0 C--N 1.338 0.107 0 C-N-CA 124.276 1.03 . . . . 0.0 110.47 -173.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -43.05 -39.85 2.88 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.461 1.104 . . . . 0.0 112.498 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -138.5 60.44 1.61 Allowed 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 169.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 13.37 88.75 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 128.04 2.536 . . . . 0.0 114.824 173.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 96.57 -27.48 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 128.144 2.578 . . . . 0.0 112.621 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -103.54 108.14 19.28 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.992 0.917 . . . . 0.0 109.426 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.3 t -78.63 93.44 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 173.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -77.13 146.67 37.02 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.835 -0.541 . . . . 0.0 109.933 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -43.55 -51.47 6.8 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.034 0.934 . . . . 0.0 113.399 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -57.85 -43.73 86.07 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.372 0.606 . . . . 0.0 110.033 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -70.43 -37.62 74.42 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.515 0.726 . . . . 0.0 110.169 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -53.84 -53.84 46.9 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.189 0.596 . . . . 0.0 110.132 169.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.0 mm -59.2 -50.28 80.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 118.502 0.592 . . . . 0.0 110.381 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 50.8 m -51.27 -46.84 62.55 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.495 0.718 . . . . 0.0 110.765 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -65.77 -43.12 89.79 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.165 0.586 . . . . 0.0 110.551 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.4 mt -56.56 -35.27 67.95 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.594 1.088 . . . . 0.0 110.289 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.56 -49.79 67.26 Favored Glycine 0 CA--C 1.533 1.161 0 N-CA-C 111.374 -0.691 . . . . 0.0 111.374 168.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.77 -45.35 78.14 Favored 'General case' 0 C--O 1.224 -0.26 0 O-C-N 121.849 -0.795 . . . . 0.0 111.133 173.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.5 tp -58.26 -45.95 86.88 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.407 1.083 . . . . 0.0 109.809 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.8 -52.12 65.08 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.534 0.733 . . . . 0.0 110.423 173.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -57.32 -41.0 79.09 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.984 0.514 . . . . 0.0 111.701 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.6 mt -68.5 -45.49 81.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 125.013 1.325 . . . . 0.0 110.458 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -52.68 -47.36 67.25 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 171.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 73.05 -57.53 0.63 Allowed 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 125.471 1.508 . . . . 0.0 113.73 167.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -50.14 -40.34 46.04 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.194 0.597 . . . . 0.0 109.949 174.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.49 -42.87 7.48 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.186 1.394 . . . . 0.0 112.329 173.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 40.5 mt -61.75 -35.99 79.7 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.231 0.613 . . . . 0.0 110.964 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.73 -53.0 6.57 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -177.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.214 0 CA-C-O 117.808 -1.551 . . . . 0.0 111.112 -179.451 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 110.568 -0.16 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.18 -26.13 62.83 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -174.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.94 -54.45 4.31 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 126.224 1.81 . . . . 0.0 114.41 -170.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.93 -45.59 39.75 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.472 2.781 . . . . 0.0 111.901 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 56.8 tp -67.95 -46.18 72.17 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -52.92 -50.19 64.45 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 122.924 0.489 . . . . 0.0 110.611 -178.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -61.08 -41.05 95.91 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.121 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.33 -54.85 34.49 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.723 -0.611 . . . . 0.0 111.982 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 32.2 pt -57.43 -43.58 82.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.43 -42.4 13.44 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 125.427 1.489 . . . . 0.0 112.492 171.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -60.4 3.89 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.127 0.963 . . . . 0.0 109.928 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -51.44 -48.12 62.82 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.451 0.701 . . . . 0.0 110.213 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.41 -56.34 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 123.863 0.865 . . . . 0.0 108.983 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.04 -52.1 41.94 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 124.39 0.995 . . . . 0.0 111.261 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mt -51.11 -52.94 16.53 Favored 'Isoleucine or valine' 0 C--N 1.34 0.156 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -57.36 -61.78 2.24 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 120.813 0.339 . . . . 0.0 111.636 -177.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -68.67 -23.21 64.37 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -169.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -59.59 -51.07 71.39 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 120.032 1.287 . . . . 0.0 109.428 169.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -64.36 -41.51 96.68 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 119.142 -0.456 . . . . 0.0 111.451 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 15.4 m -55.27 -52.94 61.79 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.944 0.793 . . . . 0.0 110.172 171.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.5 -43.24 52.36 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 125.801 1.667 . . . . 0.0 111.634 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -51.82 -34.22 39.34 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 117.459 0.63 . . . . 0.0 112.469 177.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -113.66 21.61 14.87 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.669 0.787 . . . . 0.0 111.222 175.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.49 18.52 5.3 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.626 1.584 . . . . 0.0 114.412 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -85.78 39.56 0.81 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.06 1.43 . . . . 0.0 111.924 -168.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 63.2 mttm 27.03 -90.56 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 128.209 2.604 . . . . 0.0 115.748 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -113.87 25.96 10.74 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.831 1.252 . . . . 0.0 112.014 -172.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 97.6 m -140.85 158.89 43.31 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.309 1.444 . . . . 0.0 108.608 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 94.5 mt -124.49 139.27 54.04 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 124.84 1.256 . . . . 0.0 107.67 169.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.3 t -79.34 153.3 29.9 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 168.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -50.93 -46.3 60.83 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.54 0.736 . . . . 0.0 112.796 -171.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -71.7 -29.48 64.61 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.186 -0.946 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -66.14 -41.85 89.9 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -56.04 -48.89 75.15 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 170.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -53.21 -48.2 68.32 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 120.91 -1.119 . . . . 0.0 110.589 175.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -54.58 -47.06 73.75 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 122.537 0.335 . . . . 0.0 110.932 177.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 tt -51.09 -54.18 27.34 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 124.148 0.979 . . . . 0.0 109.514 174.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 47.5 mt -59.6 -49.45 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 O-C-N 122.056 -0.403 . . . . 0.0 110.995 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -57.62 -42.26 82.99 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 122.209 -0.307 . . . . 0.0 110.813 -177.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -74.93 -51.19 14.41 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.617 0.644 . . . . 0.0 112.125 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -80.37 -45.41 17.77 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.321 0.648 . . . . 0.0 112.245 -169.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mp -92.03 -49.26 6.3 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.215 0.606 . . . . 0.0 109.504 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.7 m 60.01 67.71 0.84 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.843 0.857 . . . . 0.0 111.958 174.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 pp -69.71 75.01 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 O-C-N 121.764 -0.585 . . . . 0.0 110.378 170.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -39.99 -41.23 1.92 Allowed Glycine 0 CA--C 1.53 0.995 0 C-N-CA 126.445 1.974 . . . . 0.0 113.838 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -64.29 76.88 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.061 0.944 . . . . 0.0 110.726 170.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -43.38 -29.07 0.39 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.673 1.989 . . . . 0.0 115.479 -172.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 82.7 mt -48.15 -39.81 21.84 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.423 1.01 . . . . 0.0 111.417 173.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -56.18 -17.51 7.53 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.111 0.964 . . . . 0.0 113.055 177.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -47.61 -35.73 9.69 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.58 1.082 . . . . 0.0 111.196 171.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.12 78.26 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.049 0.452 . . . . 0.0 111.296 172.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -60.59 -45.88 92.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 18.1 mm -57.29 -42.14 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-O 117.605 -1.188 . . . . 0.0 111.311 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 m -68.73 -36.85 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 121.138 1.79 . . . . 0.0 112.47 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.51 -52.22 66.5 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.106 0.866 . . . . 0.0 109.696 173.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.54 -42.95 79.35 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.625 1.17 . . . . 0.0 111.245 177.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 60.9 ttp -58.07 -49.22 77.67 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.85 1.26 . . . . 0.0 108.551 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -56.49 -49.17 75.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 176.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -56.55 -41.69 77.26 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 122.023 -0.423 . . . . 0.0 112.102 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.53 -51.69 64.38 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.851 0.86 . . . . 0.0 110.689 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.45 -27.28 56.11 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -170.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 45.2 ttm180 -51.27 -41.53 60.47 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.654 0.781 . . . . 0.0 110.514 -176.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -52.8 -31.72 40.15 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.272 1.029 . . . . 0.0 112.061 -177.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -132.2 59.83 1.7 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 168.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.278 3.3 p30 57.23 -74.72 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 127.525 2.33 . . . . 0.0 114.258 175.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -137.44 12.48 3.0 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.398 1.479 . . . . 0.0 111.688 -174.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -132.92 158.72 41.88 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 169.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 3.1 t -107.06 106.24 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 125.138 1.375 . . . . 0.0 107.525 177.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -80.53 152.22 28.77 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.835 -0.54 . . . . 0.0 110.215 174.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -43.47 -60.65 1.65 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -170.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.84 -36.02 82.53 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 118.99 -1.084 . . . . 0.0 110.599 -174.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -62.76 -41.85 99.41 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.26 0.624 . . . . 0.0 109.731 177.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -54.06 -53.51 52.09 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 117.831 0.287 . . . . 0.0 110.795 170.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.3 mm -56.36 -49.46 76.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 118.006 0.366 . . . . 0.0 110.087 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 48.9 m -53.31 -49.91 66.03 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.399 1.079 . . . . 0.0 110.162 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -61.03 -46.22 91.59 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 119.307 -0.377 . . . . 0.0 110.454 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 61.4 mt -56.79 -35.47 68.75 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.057 0.844 . . . . 0.0 110.5 174.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.67 -51.94 53.63 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 169.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.68 -46.03 81.39 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 117.76 0.78 . . . . 0.0 111.25 176.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.3 tp -55.17 -49.35 72.07 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.654 1.182 . . . . 0.0 109.711 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.65 92.87 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.494 0.718 . . . . 0.0 111.148 177.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.06 -47.0 86.62 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 71.2 mt -56.51 -40.45 68.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -72.31 60.04 0.43 Allowed 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.812 -0.555 . . . . 0.0 111.563 171.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -48.71 -33.41 10.09 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.232 -0.918 . . . . 0.0 111.682 169.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -55.13 -46.72 75.64 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.486 0.714 . . . . 0.0 110.328 173.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.89 82.95 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.888 0.475 . . . . 0.0 110.052 177.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 55.2 mt -53.1 -51.69 61.06 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 117.692 0.224 . . . . 0.0 110.853 176.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -64.9 -46.87 79.94 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 117.09 -1.95 . . . . 0.0 111.384 179.76 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.7 mtt . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 110.457 -0.201 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 69.8 -65.11 0.32 Allowed 'General case' 0 C--N 1.34 0.172 0 C-N-CA 129.405 3.082 . . . . 0.0 110.071 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.42 -49.43 4.91 Favored Pre-proline 0 N--CA 1.449 -0.505 0 C-N-CA 128.372 2.669 . . . . 0.0 113.87 -177.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -61.52 -46.67 13.69 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.226 1.951 . . . . 0.0 112.607 -174.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.3 tp -77.69 -44.63 27.35 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -51.18 -47.17 62.25 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.588 0.755 . . . . 0.0 110.81 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -62.26 -36.1 81.0 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 119.855 -0.738 . . . . 0.0 111.558 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.52 -53.05 17.73 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.758 -0.589 . . . . 0.0 110.785 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.5 pt -58.03 -41.98 81.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.93 -46.07 25.85 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.978 1.275 . . . . 0.0 112.141 170.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.77 -59.63 4.74 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.227 1.013 . . . . 0.0 110.051 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -50.41 -50.39 51.95 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 123.334 0.654 . . . . 0.0 109.748 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.66 -46.28 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.97 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.06 -54.95 33.75 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mt -51.58 -53.55 15.96 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 CA-C-N 117.386 0.593 . . . . 0.0 109.419 178.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -55.72 -63.16 1.26 Allowed 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.845 -178.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -72.64 -22.71 60.9 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 119.218 -0.42 . . . . 0.0 111.96 -169.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -59.52 -50.1 75.2 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 169.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -60.34 -46.93 88.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.475 -0.774 . . . . 0.0 111.426 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 m -50.0 -54.46 19.97 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.164 0.893 . . . . 0.0 110.721 172.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.35 -40.16 60.5 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 125.566 1.555 . . . . 0.0 112.074 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -47.37 -36.21 9.28 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.877 0.871 . . . . 0.0 112.306 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -123.11 30.12 6.48 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.2 0.6 . . . . 0.0 111.322 176.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.64 34.44 20.8 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.757 1.17 . . . . 0.0 113.61 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -82.64 160.09 22.54 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 117.518 0.659 . . . . 0.0 109.259 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -73.71 -161.39 0.11 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.672 0.789 . . . . 0.0 109.991 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -75.02 59.57 0.94 Allowed 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.326 -0.859 . . . . 0.0 111.502 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 t -156.18 164.6 38.17 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 126.56 1.944 . . . . 0.0 106.724 -176.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.7 mt -132.99 149.81 52.21 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.372 1.069 . . . . 0.0 109.018 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.2 p -95.34 178.75 5.41 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.93 1.292 . . . . 0.0 111.019 175.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -60.48 -68.15 0.33 Allowed 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.16 0.984 . . . . 0.0 112.088 -170.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -63.42 -35.9 81.95 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.785 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -56.79 -49.19 76.06 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.03 0.532 . . . . 0.0 109.729 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.81 -48.38 81.92 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -55.66 -42.21 74.75 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 119.298 -0.961 . . . . 0.0 110.603 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -62.54 -38.54 90.41 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.241 1.016 . . . . 0.0 111.193 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 tt -55.31 -54.18 46.84 Favored 'General case' 0 C--N 1.338 0.098 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 169.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.2 mt -62.78 -46.95 95.06 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 CA-C-O 119.015 -0.517 . . . . 0.0 111.306 -175.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -58.36 -40.4 82.15 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 119.524 1.057 . . . . 0.0 111.069 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.31 -54.67 18.65 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.336 0.516 . . . . 0.0 110.055 177.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -75.24 -46.51 33.36 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -169.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.9 mt -115.42 73.19 0.82 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 125.648 1.579 . . . . 0.0 107.345 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.4 m -76.41 66.03 2.39 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.34 0.656 . . . . 0.0 110.534 -174.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.42 126.93 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 O-C-N 121.774 -0.579 . . . . 0.0 109.847 178.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.8 -30.22 77.39 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 t -73.0 70.38 1.03 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.945 0.898 . . . . 0.0 110.609 -178.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -60.02 -19.41 52.54 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.719 -0.613 . . . . 0.0 111.785 176.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.0 mt -51.26 -32.32 24.04 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.317 0.647 . . . . 0.0 111.53 169.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -84.39 10.13 11.47 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.434 0.693 . . . . 0.0 112.164 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -47.19 -43.39 21.38 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 119.385 0.993 . . . . 0.0 111.493 171.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.73 -48.77 40.33 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.683 1.193 . . . . 0.0 111.28 172.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -65.1 -42.36 94.11 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.0 mm -57.79 -47.57 85.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 118.969 -0.538 . . . . 0.0 110.604 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.1 m -66.69 -36.6 77.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 119.68 1.127 . . . . 0.0 111.664 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -58.79 -51.45 69.93 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.025 0.829 . . . . 0.0 110.194 172.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.64 -45.17 73.72 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.277 1.031 . . . . 0.0 110.877 176.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -60.2 -47.59 85.33 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.748 0.819 . . . . 0.0 109.569 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -54.05 -52.8 59.74 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -53.3 -49.13 67.63 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.966 0.506 . . . . 0.0 111.019 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mt -50.97 -60.89 2.61 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.435 0.694 . . . . 0.0 110.409 175.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -73.51 -24.93 60.23 Favored 'General case' 0 CA--C 1.527 0.093 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -171.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -53.33 -36.0 60.81 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.533 0.733 . . . . 0.0 110.654 -176.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -44.75 -38.59 4.56 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.571 1.149 . . . . 0.0 112.51 175.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -131.01 54.01 1.94 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.962 0.887 . . . . 0.0 109.649 169.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.2 p30 54.01 -17.6 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 119.568 3.173 . . . . 0.0 119.568 167.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -166.92 -39.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 120.313 1.415 . . . . 0.0 111.251 -170.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -110.78 146.34 36.55 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 172.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.6 p -93.53 126.44 45.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 168.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -88.16 160.27 17.82 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -44.79 -61.79 1.46 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -175.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -63.66 -32.82 74.42 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.087 -1.008 . . . . 0.0 110.907 -175.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -62.14 -45.66 92.44 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -54.42 -52.07 62.91 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.681 0.793 . . . . 0.0 110.422 173.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.0 mm -57.52 -51.13 73.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 118.507 0.594 . . . . 0.0 110.608 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.1 m -54.1 -47.92 71.26 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.654 0.781 . . . . 0.0 110.06 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -60.86 -44.74 96.6 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 119.112 -0.471 . . . . 0.0 110.39 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.0 mt -56.78 -34.96 68.15 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.357 0.981 . . . . 0.0 110.62 173.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.38 -52.01 54.23 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 121.733 -0.604 . . . . 0.0 111.601 169.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.57 -44.64 77.04 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.76 -0.847 . . . . 0.0 111.19 175.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.9 tp -58.95 -44.73 91.48 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.538 1.135 . . . . 0.0 109.895 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.75 90.59 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.553 0.741 . . . . 0.0 110.947 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 68.6 mtm -59.06 -45.38 90.95 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.489 0.586 . . . . 0.0 111.515 173.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 80.3 mt -58.5 -44.87 89.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -73.08 54.02 0.38 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.733 0.813 . . . . 0.0 110.05 171.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -57.65 -30.95 65.83 Favored 'General case' 0 N--CA 1.457 -0.109 0 O-C-N 121.271 -0.893 . . . . 0.0 112.613 -169.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -46.2 -43.79 15.57 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.327 1.051 . . . . 0.0 111.253 171.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.3 95.16 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 122.69 0.396 . . . . 0.0 110.64 177.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.9 mt -68.71 -40.38 80.01 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -58.65 -42.96 89.56 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.094 -0.379 . . . . 0.0 110.048 171.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.178 0 CA-C-O 116.839 -2.089 . . . . 0.0 112.717 175.778 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 43.4 mtt . . . . . 0 N--CA 1.474 0.74 0 CA-C-O 120.917 0.389 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.57 -53.86 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.918 1.687 . . . . 0.0 108.134 173.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -46.53 -51.97 33.04 Favored Pre-proline 0 N--CA 1.448 -0.55 0 C-N-CA 125.666 1.587 . . . . 0.0 114.872 -173.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -52.5 -52.58 8.56 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.711 2.274 . . . . 0.0 114.266 -169.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 59.6 tp -72.46 -45.63 58.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 121.535 -0.728 . . . . 0.0 109.794 177.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -52.37 -45.74 65.91 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.687 0.395 . . . . 0.0 111.049 -176.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -66.83 -36.01 81.36 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.147 0.43 . . . . 0.0 111.063 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.2 -53.87 32.06 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 121.676 -0.64 . . . . 0.0 111.013 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 35.5 pt -58.24 -41.9 82.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 174.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.18 -41.38 11.34 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.658 1.599 . . . . 0.0 112.694 169.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.41 -59.63 4.96 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.417 1.108 . . . . 0.0 109.716 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -52.63 -47.52 66.98 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.486 0.714 . . . . 0.0 109.984 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.2 mt -59.74 -50.23 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 124.049 0.94 . . . . 0.0 109.865 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.67 -54.72 35.52 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 125.008 1.29 . . . . 0.0 110.048 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mt -48.17 -53.28 6.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 176.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -57.83 -56.48 21.43 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.335 -178.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -73.45 -28.06 61.75 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 121.911 -0.493 . . . . 0.0 112.164 -170.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -59.79 -51.91 67.71 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 170.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -56.76 -57.03 14.22 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.49 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.9 t -46.18 -51.42 14.19 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.02 0.928 . . . . 0.0 111.334 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.6 -37.29 50.02 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.725 1.155 . . . . 0.0 112.586 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -51.56 -32.93 30.19 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.052 0.926 . . . . 0.0 111.907 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -122.87 28.48 7.23 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.449 0.7 . . . . 0.0 111.133 175.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 51.07 33.67 30.14 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.401 1.0 . . . . 0.0 113.674 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -85.18 171.18 12.18 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 175.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -115.24 -123.01 0.29 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.939 1.296 . . . . 0.0 109.599 -172.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -78.21 36.55 0.24 Allowed 'General case' 0 CA--C 1.539 0.548 0 O-C-N 120.959 -1.088 . . . . 0.0 111.547 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -151.3 150.78 30.93 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.995 1.718 . . . . 0.0 107.675 -169.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 96.6 mt -125.65 155.7 40.42 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 168.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.9 p -87.73 157.82 18.96 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 168.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -64.56 -43.54 93.6 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 120.896 -1.128 . . . . 0.0 113.249 -170.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -71.14 -35.53 71.75 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.078 -1.014 . . . . 0.0 110.595 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -56.81 -48.65 77.48 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 171.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -53.72 -49.0 69.05 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.009 0.524 . . . . 0.0 109.773 172.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -49.3 -48.56 46.1 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.251 -0.906 . . . . 0.0 109.79 176.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.26 -46.95 88.04 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.972 0.909 . . . . 0.0 111.941 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -47.6 -53.2 15.34 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.293 1.037 . . . . 0.0 109.017 174.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 73.1 mt -59.86 -44.8 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.952 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.27 -43.0 96.56 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 119.376 0.989 . . . . 0.0 110.691 -175.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -70.6 -56.65 6.0 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.709 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -74.91 -47.67 28.64 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.218 -0.302 . . . . 0.0 111.493 -169.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 74.9 mt -112.62 63.96 0.63 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.626 1.57 . . . . 0.0 109.612 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.2 m -62.73 -20.09 64.58 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.709 0.804 . . . . 0.0 113.087 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 42.6 pt 45.45 -133.71 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 126.056 1.742 . . . . 0.0 112.615 173.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.51 63.77 3.92 Favored Glycine 0 C--N 1.339 0.725 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 -176.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 23.5 m 43.77 39.89 2.78 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.382 1.073 . . . . 0.0 111.355 -171.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? 59.17 20.27 8.28 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.168 1.387 . . . . 0.0 113.926 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.87 -30.06 71.23 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 119.232 0.924 . . . . 0.0 110.926 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -74.62 36.94 0.11 Allowed 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.638 -0.664 . . . . 0.0 112.219 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -55.67 -46.48 77.56 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 124.285 1.034 . . . . 0.0 111.367 -170.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.06 -45.89 64.91 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.907 0.883 . . . . 0.0 110.741 175.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -66.34 -43.64 85.54 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 30.5 mm -53.63 -52.95 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-O 118.664 -0.684 . . . . 0.0 109.939 173.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.291 15.5 m -67.08 -34.64 71.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 119.561 1.073 . . . . 0.0 112.183 -174.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -56.95 -53.34 59.17 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.876 0.762 . . . . 0.0 110.057 169.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tt -56.47 -42.11 77.68 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.525 0.73 . . . . 0.0 111.397 178.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -62.5 -42.45 99.51 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.377 1.071 . . . . 0.0 109.734 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -57.49 -49.48 76.16 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.022 0.374 . . . . 0.0 110.049 172.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -54.28 -50.31 67.55 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 117.757 0.253 . . . . 0.0 111.205 177.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.3 mt -55.21 -55.54 30.09 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.221 0.608 . . . . 0.0 110.698 175.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -71.16 -21.11 62.22 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -172.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -45.45 -33.9 2.88 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.053 0.941 . . . . 0.0 110.912 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -35.61 -54.34 0.7 Allowed 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.671 1.588 . . . . 0.0 113.332 168.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -156.74 48.66 0.46 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.927 0.891 . . . . 0.0 109.88 -172.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 p30 51.63 -71.56 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 128.27 2.628 . . . . 0.0 115.097 173.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -85.19 -37.64 19.91 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.636 1.574 . . . . 0.0 110.129 176.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -103.26 150.54 23.63 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -169.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.3 t -116.66 111.08 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 126.916 2.087 . . . . 0.0 105.605 169.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -79.36 146.92 32.62 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 121.72 -0.613 . . . . 0.0 109.649 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -45.16 -51.09 10.86 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.372 1.069 . . . . 0.0 113.198 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -57.38 -47.25 82.16 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.669 -0.644 . . . . 0.0 110.034 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -69.14 -34.93 75.78 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 119.442 -0.313 . . . . 0.0 110.662 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -54.94 -53.87 50.02 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.365 0.53 . . . . 0.0 110.051 169.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.0 mm -58.37 -50.69 77.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 118.672 0.669 . . . . 0.0 110.227 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 35.5 m -52.83 -45.75 67.45 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.495 0.718 . . . . 0.0 110.779 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -66.34 -43.76 85.18 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 123.552 0.741 . . . . 0.0 110.206 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 80.9 mt -56.69 -35.32 68.34 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.179 0.9 . . . . 0.0 110.058 172.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.57 -50.14 64.95 Favored Glycine 0 CA--C 1.532 1.139 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 168.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.93 -45.93 78.62 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.58 -0.953 . . . . 0.0 111.182 174.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.1 tp -58.08 -46.32 85.66 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.182 0.993 . . . . 0.0 109.723 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.88 -42.97 85.7 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.722 0.809 . . . . 0.0 110.746 174.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 36.0 ttm -60.51 -44.74 95.7 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.996 -0.44 . . . . 0.0 111.227 174.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.99 -41.56 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.285 0.634 . . . . 0.0 109.35 174.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -73.15 58.81 0.52 Allowed 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.858 -0.527 . . . . 0.0 110.556 169.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -51.09 -40.47 58.46 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.569 1.148 . . . . 0.0 111.581 -175.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -57.64 -35.78 70.97 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.93 0.492 . . . . 0.0 111.482 178.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.84 -47.11 84.8 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 10.6 mt -60.89 -40.66 93.9 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 121.134 -0.227 . . . . 0.0 110.883 176.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -56.14 -46.8 79.11 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.465 0.706 . . . . 0.0 109.893 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.175 0 CA-C-O 117.242 -1.866 . . . . 0.0 111.632 174.602 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.2 mtp . . . . . 0 N--CA 1.473 0.721 0 CA-C-O 119.576 -0.25 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -39.04 -72.33 0.06 Allowed 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 125.527 1.531 . . . . 0.0 112.469 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -54.27 50.37 Favored Pre-proline 0 CA--C 1.539 0.528 0 C-N-CA 123.67 0.788 . . . . 0.0 112.032 -178.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -44.62 -44.13 14.01 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.599 2.866 . . . . 0.0 114.708 171.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.4 tp -72.46 -49.59 32.23 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 119.664 1.12 . . . . 0.0 110.441 176.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -50.74 -47.85 59.27 Favored 'General case' 0 N--CA 1.458 -0.075 0 C-N-CA 124.394 1.078 . . . . 0.0 110.259 -175.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -61.15 -37.16 81.84 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.365 -0.209 . . . . 0.0 111.424 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.56 -54.0 19.43 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.717 -0.614 . . . . 0.0 110.767 -178.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.8 pt -57.34 -43.43 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 174.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.74 -44.02 23.24 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 125.377 1.465 . . . . 0.0 112.33 171.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -60.65 3.49 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.235 1.014 . . . . 0.0 109.666 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -51.31 -47.45 62.61 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.387 0.675 . . . . 0.0 110.326 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.5 mt -61.81 -51.05 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.055 0.542 . . . . 0.0 109.911 -177.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.31 -54.1 38.22 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -50.97 -55.76 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -53.28 -60.67 3.0 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.123 0.487 . . . . 0.0 111.193 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -71.34 -22.46 61.91 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.758 -168.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -61.52 -55.66 28.57 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 119.302 0.956 . . . . 0.0 109.091 168.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -63.26 -36.83 84.95 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 118.948 -0.548 . . . . 0.0 111.365 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.5 m -58.37 -59.15 5.79 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 119.23 0.923 . . . . 0.0 109.066 169.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -40.62 -43.62 3.04 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 125.739 1.638 . . . . 0.0 112.79 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -47.27 -43.31 22.07 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.857 0.863 . . . . 0.0 113.084 176.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -90.96 -44.61 9.24 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.576 0.75 . . . . 0.0 110.706 173.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.99 142.64 4.98 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 125.783 1.659 . . . . 0.0 109.044 173.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -74.06 72.17 1.65 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.027 0.913 . . . . 0.0 110.737 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -121.98 155.67 35.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 126.937 2.095 . . . . 0.0 106.947 169.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -78.44 48.04 0.75 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.62 0.645 . . . . 0.0 111.884 -172.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.9 p -149.31 138.96 21.74 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.005 1.322 . . . . 0.0 109.279 -172.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.2 mt -109.61 133.7 52.81 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 168.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.2 t -77.37 147.11 36.27 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 169.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -45.44 -45.48 12.92 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.29 1.436 . . . . 0.0 112.462 -171.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.66 -35.05 70.23 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.697 -0.627 . . . . 0.0 111.381 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.44 -41.97 92.89 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -56.05 -49.29 74.17 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 169.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -56.16 -40.35 73.73 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 120.879 -1.138 . . . . 0.0 110.744 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -59.58 -50.34 74.28 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.09 0.556 . . . . 0.0 110.516 175.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -46.87 -53.62 11.73 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.234 1.014 . . . . 0.0 109.635 173.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.2 mt -62.12 -52.02 65.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 O-C-N 121.788 -0.57 . . . . 0.0 110.796 -177.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -58.28 -39.78 80.16 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.892 -0.505 . . . . 0.0 111.546 -178.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -80.5 -46.3 16.07 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.716 0.689 . . . . 0.0 111.873 -176.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -82.05 -46.51 13.81 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.763 0.825 . . . . 0.0 112.595 -174.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.6 mp -90.07 -50.97 5.7 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -176.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.4 m 65.21 71.49 0.44 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.825 0.85 . . . . 0.0 112.59 170.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.24 99.12 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 O-C-N 121.891 -0.505 . . . . 0.0 109.784 169.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.91 57.91 2.65 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 121.329 -0.857 . . . . 0.0 112.16 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 m -174.65 85.12 0.04 OUTLIER 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 127.276 2.231 . . . . 0.0 106.802 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -56.43 -19.35 14.69 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -171.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.5 mt -48.9 -36.7 17.79 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.476 -0.765 . . . . 0.0 111.331 169.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -62.73 -15.59 53.78 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -49.08 -38.32 24.07 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 119.628 1.104 . . . . 0.0 112.432 -176.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.96 -48.39 70.35 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.469 0.652 . . . . 0.0 111.023 173.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -65.12 -40.41 94.44 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.0 mm -56.85 -49.66 78.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.337 0 CA-C-O 119.022 -0.513 . . . . 0.0 110.042 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.263 17.9 m -68.37 -32.44 55.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 119.108 0.867 . . . . 0.0 112.192 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -58.72 -51.48 69.8 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.206 0.912 . . . . 0.0 109.614 169.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -57.38 -42.4 82.06 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.811 0.844 . . . . 0.0 111.306 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.6 ttp -58.96 -50.5 73.81 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 124.823 1.249 . . . . 0.0 108.962 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -53.71 -50.49 65.8 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -54.91 -51.71 65.18 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.229 0.468 . . . . 0.0 110.946 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.1 mt -51.65 -61.05 2.49 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.622 0.769 . . . . 0.0 110.376 175.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.48 -25.42 61.42 Favored 'General case' 0 CA--C 1.528 0.105 0 O-C-N 121.505 -0.747 . . . . 0.0 112.999 -171.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.6 tpt85 -65.97 -14.46 61.65 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.073 0.949 . . . . 0.0 111.201 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -31.0 64.52 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.643 -0.661 . . . . 0.0 109.317 168.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -123.65 -127.29 0.25 Allowed 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 168.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -142.77 115.72 8.8 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 104.724 -2.324 . . . . 0.0 104.724 167.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 75.09 -36.31 0.31 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.954 1.302 . . . . 0.0 114.305 168.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -106.35 109.34 21.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.396 1.078 . . . . 0.0 109.194 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.06 111.02 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -77.6 150.64 34.64 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 121.418 -0.801 . . . . 0.0 109.261 175.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -39.94 -51.22 2.51 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.167 0.987 . . . . 0.0 113.114 176.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -62.46 -42.47 99.5 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.723 -0.611 . . . . 0.0 110.363 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -62.83 -44.52 95.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.967 0.907 . . . . 0.0 109.543 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -53.89 -53.63 49.94 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.426 0.691 . . . . 0.0 110.756 173.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.28 -48.85 83.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 119.026 0.83 . . . . 0.0 110.196 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.6 m -52.14 -50.58 61.46 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.355 0.598 . . . . 0.0 110.166 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.17 -45.87 92.85 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 122.619 0.368 . . . . 0.0 110.861 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.9 mt -57.64 -36.33 71.7 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.068 0.849 . . . . 0.0 110.421 175.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.7 -49.88 63.51 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 169.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.2 -44.63 92.23 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 117.733 0.766 . . . . 0.0 111.88 175.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 tp -56.1 -49.9 72.56 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.59 1.156 . . . . 0.0 109.282 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.98 -43.92 91.48 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.515 0.726 . . . . 0.0 110.845 176.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 14.3 tpt -60.09 -44.6 94.69 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.403 0.281 . . . . 0.0 110.648 177.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.2 mt -58.57 -40.12 77.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 123.285 0.634 . . . . 0.0 109.32 174.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -72.51 56.36 0.37 Allowed 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.748 -0.595 . . . . 0.0 112.24 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -41.47 -44.63 2.96 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 125.427 1.491 . . . . 0.0 112.113 172.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -54.22 -45.6 72.3 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.418 0.287 . . . . 0.0 110.693 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.44 97.61 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.573 0.349 . . . . 0.0 110.134 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.9 mt -53.6 -51.21 63.75 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 117.674 0.216 . . . . 0.0 110.717 175.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -66.84 -39.71 87.71 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.119 0.168 . . . . 0.0 111.353 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.356 -1.802 . . . . 0.0 111.327 176.551 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 81.0 mtp . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 110.683 -0.118 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.62 -57.15 0.59 Allowed 'General case' 0 C--N 1.341 0.204 0 C-N-CA 128.828 2.851 . . . . 0.0 111.249 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.2 p -36.7 -54.36 1.69 Allowed Pre-proline 0 CA--C 1.542 0.646 0 C-N-CA 128.188 2.595 . . . . 0.0 114.001 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -58.11 -34.1 98.12 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 121.992 1.794 . . . . 0.0 113.403 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 58.9 tp -81.2 -46.19 15.21 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 119.12 0.873 . . . . 0.0 110.052 173.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -49.92 -47.26 52.41 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 124.156 0.982 . . . . 0.0 110.305 -176.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -58.06 -39.57 78.81 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.488 177.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.37 -53.98 16.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.908 -0.495 . . . . 0.0 110.411 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.6 pt -57.9 -43.58 84.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.39 -43.27 26.98 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 125.546 1.546 . . . . 0.0 112.268 171.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -60.05 4.49 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.079 0.952 . . . . 0.0 109.945 179.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -52.34 -45.71 65.78 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 123.407 0.683 . . . . 0.0 110.112 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 64.4 mt -60.1 -53.96 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 122.942 0.497 . . . . 0.0 110.102 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.63 -51.91 51.77 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 mt -49.59 -56.58 2.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -53.96 -56.93 13.25 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.276 0.56 . . . . 0.0 111.794 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -67.4 -26.09 66.27 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -169.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -59.01 -54.69 44.28 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 119.243 0.929 . . . . 0.0 109.614 169.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -68.41 -39.02 81.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 119.0 -0.524 . . . . 0.0 111.693 -175.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 83.7 p -65.89 -48.76 70.4 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 119.771 1.168 . . . . 0.0 109.214 173.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -36.16 -51.86 1.26 Allowed Glycine 0 CA--C 1.525 0.698 0 C-N-CA 126.13 1.824 . . . . 0.0 112.446 171.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.96 -41.2 15.77 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.326 0.651 . . . . 0.0 112.644 177.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -110.96 35.32 3.57 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.308 1.443 . . . . 0.0 110.917 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.56 123.75 4.23 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 124.193 0.902 . . . . 0.0 110.973 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.11 70.43 0.09 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.829 1.652 . . . . 0.0 113.005 -172.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -114.87 163.17 15.91 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 126.131 1.772 . . . . 0.0 108.789 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -82.32 40.18 0.63 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.254 0.622 . . . . 0.0 110.656 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 42.6 p -144.66 128.27 17.13 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.788 1.235 . . . . 0.0 109.628 -169.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 60.1 mt -107.56 130.14 54.91 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 169.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.1 t -78.69 178.78 7.59 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.651 0.66 . . . . 0.0 111.118 172.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -60.66 -67.48 0.39 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 125.405 1.482 . . . . 0.0 111.615 -169.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -66.54 -29.69 69.83 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.004 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -59.32 -48.41 81.74 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 173.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.25 -49.31 77.55 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -56.78 -40.26 75.55 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 119.247 -0.981 . . . . 0.0 110.811 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.57 -50.69 72.89 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.603 0.761 . . . . 0.0 110.099 175.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tt -47.2 -54.42 10.77 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.214 0.605 . . . . 0.0 109.744 172.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.4 mt -60.76 -55.55 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.664 -177.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -57.71 -39.34 76.99 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.396 0.998 . . . . 0.0 111.871 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -80.08 -41.15 26.16 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.707 -0.621 . . . . 0.0 111.551 -174.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -81.41 -56.84 3.78 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.207 0.527 . . . . 0.0 110.822 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -96.09 65.26 2.43 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 126.294 1.837 . . . . 0.0 107.685 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 5.2 m -71.91 70.09 0.73 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.753 0.821 . . . . 0.0 111.493 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 12.5 pt -57.55 133.96 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 123.652 0.781 . . . . 0.0 109.715 173.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.07 -45.47 93.78 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 6.7 m -72.63 60.39 0.48 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.345 1.458 . . . . 0.0 112.169 -178.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -61.33 -13.41 19.18 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.484 0.714 . . . . 0.0 112.596 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 82.4 mt -53.22 -24.53 11.33 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.549 0.739 . . . . 0.0 111.45 168.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -66.98 2.23 1.57 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 171.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -44.56 -42.57 7.39 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 119.983 1.265 . . . . 0.0 112.582 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.3 -48.2 68.6 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.535 0.734 . . . . 0.0 111.103 175.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -64.74 -42.91 94.85 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 36.5 mm -58.3 -45.06 89.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.876 177.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 17.5 m -68.19 -35.96 73.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 120.104 1.32 . . . . 0.0 111.876 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -58.96 -51.36 70.37 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.292 0.951 . . . . 0.0 110.24 171.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.9 -44.66 74.35 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.799 0.84 . . . . 0.0 110.787 176.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 16.3 tmm? -62.39 -42.68 99.61 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.725 0.81 . . . . 0.0 109.936 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -56.6 -50.53 71.72 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 122.813 0.445 . . . . 0.0 109.965 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -54.6 -48.69 71.85 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.738 0.415 . . . . 0.0 111.266 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mt -55.86 -60.95 2.73 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.302 0.641 . . . . 0.0 110.517 174.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -65.54 -18.79 65.59 Favored 'General case' 0 C--O 1.227 -0.113 0 CA-C-O 118.247 -0.882 . . . . 0.0 113.016 -174.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -42.28 -35.73 1.06 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.767 1.227 . . . . 0.0 111.495 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -29.84 -56.03 0.17 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.669 1.588 . . . . 0.0 112.534 167.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 tpmt? -162.88 62.16 0.19 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.62 1.168 . . . . 0.0 108.85 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 34.5 -64.38 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 130.558 3.543 . . . . 0.0 117.185 171.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -61.79 -35.13 77.28 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.457 1.503 . . . . 0.0 110.023 176.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -151.23 155.8 39.57 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -170.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 10.1 p -101.9 119.55 50.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 125.193 1.397 . . . . 0.0 108.178 168.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -79.96 146.34 32.12 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -39.61 -55.82 1.79 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.953 1.701 . . . . 0.0 113.756 -173.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -59.81 -41.14 90.6 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.587 -0.696 . . . . 0.0 110.838 -175.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -69.94 -35.82 74.81 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.329 0.652 . . . . 0.0 109.965 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -56.46 -51.94 66.55 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.282 0.492 . . . . 0.0 110.424 169.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 30.8 mm -57.14 -49.38 79.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 118.468 0.576 . . . . 0.0 109.833 177.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 33.4 m -53.7 -47.55 70.41 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.016 0.436 . . . . 0.0 110.381 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -61.18 -43.48 98.81 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 121.489 -0.757 . . . . 0.0 110.654 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 80.0 mt -58.29 -34.27 70.35 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.204 0.911 . . . . 0.0 110.623 173.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.99 -42.89 98.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 121.698 -0.626 . . . . 0.0 111.87 168.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.95 -47.41 85.03 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.081 -1.247 . . . . 0.0 110.26 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.4 tp -54.83 -48.08 73.3 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.027 1.331 . . . . 0.0 109.71 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.94 77.66 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.931 0.893 . . . . 0.0 110.896 175.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 56.2 ttp -60.51 -40.88 93.01 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 122.233 -0.292 . . . . 0.0 111.134 178.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 68.0 mt -60.82 -41.54 89.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 124.085 0.954 . . . . 0.0 109.512 174.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -73.35 52.81 0.38 Allowed 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.673 0.669 . . . . 0.0 110.117 169.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -55.47 -33.43 63.65 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 124.882 1.273 . . . . 0.0 112.846 -168.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -47.9 -38.47 16.48 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.126 0.97 . . . . 0.0 111.475 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.98 -34.96 78.64 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.947 0.499 . . . . 0.0 111.67 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 29.9 mt -76.64 -50.94 12.54 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -56.42 -44.84 80.76 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.729 0.412 . . . . 0.0 111.432 -177.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.208 0 CA-C-O 117.435 -1.758 . . . . 0.0 111.234 -177.751 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.4 tpp . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 110.569 -0.16 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.66 -58.32 0.02 OUTLIER 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.638 1.575 . . . . 0.0 107.731 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.74 -52.45 8.61 Favored Pre-proline 0 N--CA 1.448 -0.526 0 C-N-CA 126.438 1.895 . . . . 0.0 113.439 -178.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -53.47 -50.45 13.82 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.839 2.359 . . . . 0.0 112.941 -175.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.7 tp -72.17 -45.23 61.28 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 119.419 -0.912 . . . . 0.0 109.671 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -52.89 -47.65 67.76 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 122.37 0.268 . . . . 0.0 111.124 -176.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -64.24 -39.52 94.12 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.073 -0.392 . . . . 0.0 110.896 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.85 -53.24 53.72 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.398 0.545 . . . . 0.0 111.509 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.6 pt -57.75 -47.32 86.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 175.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.51 -44.3 5.18 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.277 1.418 . . . . 0.0 112.81 171.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -61.05 2.7 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.421 1.089 . . . . 0.0 110.105 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mp -52.84 -47.84 67.47 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.644 0.777 . . . . 0.0 109.994 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.65 -48.09 88.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -176.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.29 -52.52 51.14 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 124.602 1.096 . . . . 0.0 110.418 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.4 mt -46.43 -54.84 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.16 0 C-N-CA 123.409 0.684 . . . . 0.0 109.397 174.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -58.25 -62.76 1.6 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -66.59 -26.33 67.05 Favored 'General case' 0 C--O 1.226 -0.135 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -169.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -59.28 -53.2 60.96 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 169.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -67.07 -41.18 86.85 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -178.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.3 m -55.83 -58.45 7.79 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 169.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -41.98 -44.73 4.73 Favored Glycine 0 CA--C 1.523 0.589 0 C-N-CA 126.368 1.937 . . . . 0.0 112.837 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -48.0 -37.11 13.96 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.776 0.83 . . . . 0.0 112.712 177.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.42 -25.08 12.95 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.482 1.113 . . . . 0.0 113.094 175.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.1 125.51 0.81 Allowed Glycine 0 CA--C 1.53 1.018 0 C-N-CA 125.62 1.581 . . . . 0.0 109.491 -175.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -75.15 68.87 1.97 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.063 0.932 . . . . 0.0 111.449 -176.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -114.73 159.36 20.63 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.61 1.564 . . . . 0.0 107.731 169.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -81.39 43.86 0.76 Allowed 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.713 -0.617 . . . . 0.0 111.796 -172.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.4 p -138.94 161.62 36.88 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.986 1.714 . . . . 0.0 107.902 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 tt -148.14 125.85 11.84 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -176.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.34 174.66 11.35 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -168.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -60.36 -66.96 0.44 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 122.423 1.106 . . . . 0.0 112.029 -171.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -71.63 -27.94 63.44 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.583 -0.698 . . . . 0.0 109.737 -176.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -58.28 -45.7 87.41 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 171.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.97 -48.27 82.59 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 174.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -55.61 -43.95 76.58 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 118.795 -1.162 . . . . 0.0 110.831 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -57.4 -48.09 79.99 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.073 0.949 . . . . 0.0 110.44 176.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 tt -47.87 -53.93 14.15 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 123.506 0.722 . . . . 0.0 109.717 172.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.9 mt -60.55 -50.21 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 O-C-N 121.42 -0.8 . . . . 0.0 111.122 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -61.08 -31.92 71.58 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.276 -0.89 . . . . 0.0 111.419 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.91 -54.69 8.04 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.609 0.641 . . . . 0.0 112.032 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -80.63 -47.12 14.56 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.569 0.747 . . . . 0.0 112.431 -172.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -85.7 -50.12 7.43 Favored 'General case' 0 N--CA 1.461 0.085 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -176.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 m 58.55 65.79 1.19 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.868 0.842 . . . . 0.0 111.034 176.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 pt -66.16 83.52 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 123.169 0.588 . . . . 0.0 111.393 178.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -43.69 -40.94 5.4 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.336 0.969 . . . . 0.0 111.297 169.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 m -69.29 66.55 0.18 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.427 1.091 . . . . 0.0 110.485 169.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -57.16 -20.06 24.13 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.636 1.174 . . . . 0.0 113.312 -171.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.8 mt -48.85 -33.66 11.03 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.244 0.617 . . . . 0.0 111.754 170.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -64.81 -7.06 9.61 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -43.51 -46.29 6.87 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.32 1.048 . . . . 0.0 112.174 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.08 -45.87 68.36 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.017 0.527 . . . . 0.0 111.159 176.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -63.23 -46.3 87.6 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.9 mm -55.78 -46.7 79.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.886 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.27 13.9 m -68.1 -37.44 78.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 119.954 1.252 . . . . 0.0 112.102 -176.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -60.81 -50.49 73.25 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.952 0.797 . . . . 0.0 110.084 171.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -53.7 -44.45 69.8 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.523 -0.736 . . . . 0.0 111.242 176.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -63.28 -46.43 86.85 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 125.129 1.372 . . . . 0.0 109.733 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -53.01 -51.46 61.6 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 170.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -62.76 -32.24 73.34 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.653 -0.655 . . . . 0.0 112.305 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mt -66.52 -65.04 0.73 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 170.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -61.66 -30.95 71.05 Favored 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -170.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.5 ttp85 -29.93 -52.99 0.15 Allowed 'General case' 0 C--N 1.342 0.251 0 C-N-CA 127.302 2.241 . . . . 0.0 110.56 174.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -27.3 -56.88 0.1 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 127.1 2.16 . . . . 0.0 114.326 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -137.04 54.83 1.85 Allowed 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 170.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 p30 39.14 -82.44 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.359 2.264 . . . . 0.0 114.562 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -52.99 -38.73 62.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.258 1.023 . . . . 0.0 112.251 176.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -140.62 152.89 45.78 Favored 'General case' 0 C--N 1.34 0.191 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -173.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.5 p -89.9 132.94 33.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 167.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.2 153.46 24.73 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 118.447 0.567 . . . . 0.0 110.003 173.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -44.78 -52.18 8.69 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.294 1.038 . . . . 0.0 113.687 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -55.58 -48.45 74.81 Favored 'General case' 0 C--O 1.232 0.183 0 O-C-N 121.731 -0.606 . . . . 0.0 110.059 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -73.07 -30.29 63.58 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.414 -173.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -55.86 -53.96 50.46 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 168.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 20.5 mm -58.45 -49.67 81.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 118.226 0.467 . . . . 0.0 109.983 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.2 m -52.02 -50.34 61.58 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.521 0.728 . . . . 0.0 110.238 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -62.71 -44.76 95.4 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.202 1.001 . . . . 0.0 110.388 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.7 mt -57.65 -36.4 71.83 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 118.941 0.791 . . . . 0.0 110.425 173.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.65 -50.91 58.27 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 169.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.73 -46.69 77.72 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 117.703 0.752 . . . . 0.0 111.413 176.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.4 tp -57.12 -49.17 76.73 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.216 1.006 . . . . 0.0 109.846 177.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.05 -37.0 81.07 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.197 0.999 . . . . 0.0 110.514 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 32.8 ttp -70.12 -41.28 74.16 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.473 0.709 . . . . 0.0 111.177 176.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.9 mt -58.08 -37.7 63.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 173.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -72.19 60.13 0.41 Allowed 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.345 0.593 . . . . 0.0 111.663 169.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -48.36 -39.2 21.37 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.763 1.225 . . . . 0.0 111.536 171.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -50.0 -50.73 46.16 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.585 0.354 . . . . 0.0 110.271 173.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.92 -47.46 83.15 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 41.5 mt -50.43 -51.46 46.49 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 117.676 0.217 . . . . 0.0 111.266 176.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -68.55 -38.43 80.77 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.157 -0.339 . . . . 0.0 111.644 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 CA-C-O 117.414 -1.77 . . . . 0.0 111.416 177.129 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.4 ttm . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 118.858 -0.591 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 72.86 -42.13 0.52 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.692 1.997 . . . . 0.0 114.237 170.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -39.05 -49.3 4.22 Favored Pre-proline 0 CA--C 1.537 0.471 0 C-N-CA 127.953 2.501 . . . . 0.0 113.927 -174.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -56.58 -42.05 69.46 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.778 2.319 . . . . 0.0 113.39 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.6 tp -80.48 -44.46 19.14 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -49.11 -46.49 44.97 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 123.705 0.802 . . . . 0.0 110.688 -177.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -63.44 -34.26 77.37 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.816 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.78 -50.14 21.99 Favored 'General case' 0 CA--C 1.53 0.173 0 O-C-N 121.581 -0.699 . . . . 0.0 111.265 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 44.1 pt -59.22 -40.2 80.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 119.485 -0.886 . . . . 0.0 109.201 172.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.2 -42.16 48.47 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.207 1.385 . . . . 0.0 112.206 170.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.03 -60.9 2.82 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 118.34 1.07 . . . . 0.0 109.678 178.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 12.2 mt -46.05 -50.71 14.83 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.186 0.994 . . . . 0.0 110.665 175.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mm -56.69 -55.78 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.104 0.961 . . . . 0.0 109.887 178.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.51 -50.25 61.12 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 124.693 1.14 . . . . 0.0 110.351 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.6 mt -55.06 -58.32 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -52.23 -58.13 7.57 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.578 0.228 . . . . 0.0 110.887 -175.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -66.98 -27.03 67.11 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 118.193 -0.908 . . . . 0.0 112.842 -174.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -55.62 -51.2 68.0 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.798 1.181 . . . . 0.0 108.597 169.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -67.95 -42.88 80.26 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.905 -0.569 . . . . 0.0 111.554 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.0 m -54.54 -51.54 64.87 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 119.167 0.894 . . . . 0.0 110.487 173.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.51 -38.73 5.47 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.45 1.024 . . . . 0.0 113.098 -176.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -61.04 -38.43 86.13 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.45 0.7 . . . . 0.0 112.507 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -93.37 -44.09 8.45 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.183 0.993 . . . . 0.0 110.815 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.75 137.09 2.21 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 107.736 -2.146 . . . . 0.0 107.736 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.8 65.33 1.91 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.17 0.985 . . . . 0.0 111.398 -174.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -120.79 165.36 15.25 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.875 1.67 . . . . 0.0 107.786 175.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -81.72 45.87 0.93 Allowed 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.862 -0.524 . . . . 0.0 111.037 -173.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 18.5 p -139.46 152.52 47.08 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.993 1.717 . . . . 0.0 109.255 -171.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.18 129.39 39.71 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 125.332 1.453 . . . . 0.0 108.606 172.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 7.7 m -78.53 151.42 32.51 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 119.171 0.896 . . . . 0.0 109.636 174.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 pptp? -49.23 -46.64 46.18 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.896 1.278 . . . . 0.0 113.981 -168.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -26.62 51.72 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.627 -0.671 . . . . 0.0 110.65 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.18 -41.81 89.74 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 172.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -56.67 -49.12 75.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 169.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -54.96 -42.98 73.04 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 119.058 -1.057 . . . . 0.0 110.823 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -56.77 -49.71 74.46 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.036 0.534 . . . . 0.0 110.85 174.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 tt -49.16 -52.54 25.85 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 124.18 0.992 . . . . 0.0 109.876 175.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 65.7 mt -60.58 -55.11 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -51.62 -41.44 61.27 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 117.971 0.35 . . . . 0.0 111.705 -175.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -80.85 -53.58 6.35 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.259 0.481 . . . . 0.0 112.255 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -81.26 -28.37 34.78 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -168.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -127.45 67.32 1.3 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.581 1.952 . . . . 0.0 107.764 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 29.9 p -48.0 99.88 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.1 1.36 . . . . 0.0 112.172 -175.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 tp -76.36 68.79 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 123.737 0.815 . . . . 0.0 110.339 -175.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.84 -41.87 36.76 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.441 1.02 . . . . 0.0 111.142 177.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 6.7 m -69.17 63.87 0.14 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.776 1.23 . . . . 0.0 111.02 172.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -56.43 -26.38 53.39 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.497 1.119 . . . . 0.0 112.929 -170.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -50.8 -37.53 43.07 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.324 0.65 . . . . 0.0 110.932 172.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -73.1 0.93 10.14 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.86 0.864 . . . . 0.0 112.586 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -55.19 -33.33 62.91 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 120.049 1.295 . . . . 0.0 111.577 178.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.79 -48.89 69.36 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.333 0.587 . . . . 0.0 110.946 170.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.87 -41.44 99.39 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 37.4 mm -55.11 -47.76 76.87 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.247 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.984 174.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.286 12.1 m -67.24 -37.03 78.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 120.049 1.295 . . . . 0.0 112.526 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -58.12 -51.44 69.71 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.065 0.848 . . . . 0.0 110.297 171.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.7 -44.91 73.83 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.996 1.318 . . . . 0.0 110.908 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.3 tmm? -60.24 -45.81 91.97 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.469 1.108 . . . . 0.0 109.655 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -55.76 -49.84 72.03 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.008 0.367 . . . . 0.0 110.204 173.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -57.74 -45.44 85.84 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.728 0.411 . . . . 0.0 111.351 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 mt -57.6 -58.67 7.28 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.372 0.669 . . . . 0.0 110.052 173.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.97 -17.48 60.53 Favored 'General case' 0 N--CA 1.462 0.148 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -169.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -39.13 23.43 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.995 0.918 . . . . 0.0 109.779 173.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -31.27 -62.05 0.19 Allowed 'General case' 0 C--N 1.344 0.332 0 C-N-CA 125.954 1.701 . . . . 0.0 112.868 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -129.09 61.39 1.53 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 172.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 26.53 73.91 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 127.005 2.122 . . . . 0.0 113.898 170.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 102.72 -12.63 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 128.312 2.645 . . . . 0.0 112.365 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -114.42 134.76 54.76 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.065 0.946 . . . . 0.0 110.295 170.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 t -99.05 115.55 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 127.231 2.212 . . . . 0.0 106.557 171.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -79.87 146.11 32.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 119.229 0.922 . . . . 0.0 109.326 170.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -39.85 -51.37 2.43 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.665 1.186 . . . . 0.0 113.521 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -55.48 -44.12 76.18 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.638 -0.664 . . . . 0.0 111.042 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -76.65 -32.46 58.0 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.802 0.441 . . . . 0.0 111.012 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -54.34 -52.67 60.83 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 168.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.1 mm -58.57 -52.86 54.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 O-C-N 122.055 -0.403 . . . . 0.0 110.682 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 32.2 m -50.99 -48.99 61.15 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.326 0.584 . . . . 0.0 110.719 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -63.56 -44.48 94.0 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.303 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 78.0 mt -56.64 -36.46 69.52 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.084 0.856 . . . . 0.0 110.337 173.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.45 -51.08 58.58 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 169.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.4 -42.39 82.16 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 117.924 0.862 . . . . 0.0 111.645 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.5 tp -58.64 -48.61 80.43 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.438 1.095 . . . . 0.0 109.438 177.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.79 -44.2 81.66 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.889 0.476 . . . . 0.0 110.416 173.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 33.7 ttp -61.82 -40.34 94.94 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.855 0.462 . . . . 0.0 111.352 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 86.5 mt -59.39 -44.41 92.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 171.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -71.98 60.05 0.38 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.981 0.912 . . . . 0.0 112.335 175.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -42.26 -41.97 2.94 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 127.054 2.142 . . . . 0.0 111.62 170.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -52.88 -50.82 63.07 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.269 1.028 . . . . 0.0 110.028 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.12 -43.86 94.02 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.874 0.469 . . . . 0.0 110.005 177.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 60.5 mt -50.47 -51.77 44.14 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 117.911 0.323 . . . . 0.0 110.683 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.93 -45.39 74.44 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 110.544 -0.169 . . . . 0.0 110.544 178.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.067 -1.963 . . . . 0.0 110.922 176.042 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.3 mtp . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.11 -60.42 0.37 Allowed 'General case' 0 C--N 1.341 0.199 0 C-N-CA 129.397 3.079 . . . . 0.0 111.499 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -38.58 -48.46 3.56 Favored Pre-proline 0 N--CA 1.449 -0.5 0 C-N-CA 128.251 2.621 . . . . 0.0 112.797 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -59.66 -34.72 96.29 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 121.908 1.739 . . . . 0.0 113.814 -177.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.9 tp -81.91 -46.19 14.4 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 171.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -50.34 -45.62 55.13 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 123.427 0.691 . . . . 0.0 110.885 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -55.84 -42.65 76.1 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 120.605 0.24 . . . . 0.0 111.254 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.49 -52.0 25.05 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.986 -0.446 . . . . 0.0 110.233 -173.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.0 pt -57.54 -43.24 82.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 119.715 -0.794 . . . . 0.0 109.074 173.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.52 -45.1 17.07 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 125.177 1.37 . . . . 0.0 112.052 171.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.48 -60.64 3.35 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.882 0.873 . . . . 0.0 110.592 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mp -51.47 -49.61 61.45 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.667 0.787 . . . . 0.0 109.599 177.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.1 mt -57.94 -50.7 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.571 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.36 -55.19 31.76 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.0 mt -46.94 -52.77 3.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.342 0.657 . . . . 0.0 109.288 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -60.89 -55.84 28.18 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.383 0.611 . . . . 0.0 111.919 -177.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -68.44 -29.57 68.26 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.927 -0.559 . . . . 0.0 111.513 -170.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -57.66 -53.98 52.01 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.839 0.745 . . . . 0.0 109.965 170.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -65.4 -36.89 85.31 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 122.092 -0.38 . . . . 0.0 111.89 -177.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.9 m -59.06 -52.94 63.59 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.156 0.503 . . . . 0.0 109.77 172.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.32 -39.42 72.18 Favored Glycine 0 CA--C 1.523 0.577 0 C-N-CA 124.849 1.214 . . . . 0.0 111.428 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -49.67 -34.88 19.73 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.548 0.739 . . . . 0.0 112.076 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -114.39 29.12 8.24 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.654 0.781 . . . . 0.0 111.299 176.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.49 32.02 60.62 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.172 0.891 . . . . 0.0 113.676 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -111.41 162.57 14.92 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 171.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -109.78 -80.95 0.58 Allowed 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 123.546 0.738 . . . . 0.0 110.616 -176.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -102.47 26.62 7.65 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.544 0.738 . . . . 0.0 110.999 -169.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.3 m -155.34 150.3 26.67 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -149.69 155.93 41.03 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.816 0.735 . . . . 0.0 110.932 173.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.2 t -78.05 154.68 31.18 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 124.171 0.988 . . . . 0.0 111.695 -168.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -49.8 -49.29 49.19 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.929 0.892 . . . . 0.0 113.065 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -70.44 -32.52 70.13 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.029 -1.044 . . . . 0.0 110.54 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.65 -40.52 97.05 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 174.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.14 -48.98 78.56 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.326 0.65 . . . . 0.0 109.545 171.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -52.36 -48.63 65.43 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.107 173.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -58.21 -35.63 71.95 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.071 0.548 . . . . 0.0 112.048 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.84 -58.97 6.24 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.029 0.932 . . . . 0.0 109.407 170.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.8 mt -54.68 -52.21 43.71 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-O 119.111 -0.471 . . . . 0.0 110.611 -176.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -58.87 -31.01 68.17 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 119.05 0.841 . . . . 0.0 112.073 -175.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -80.45 -43.36 21.05 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 119.16 0.891 . . . . 0.0 112.033 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -75.39 -67.0 0.7 Allowed 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 122.373 1.083 . . . . 0.0 109.138 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -84.76 76.61 10.2 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 124.866 1.266 . . . . 0.0 107.625 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.1 p -67.69 75.08 0.18 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.293 1.037 . . . . 0.0 111.3 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.0 pt -64.82 108.27 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 123.307 0.643 . . . . 0.0 110.324 175.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -43.45 125.74 5.17 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.495 1.045 . . . . 0.0 111.311 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.2 m 48.87 30.09 2.57 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.119 1.368 . . . . 0.0 113.358 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp 55.2 28.97 11.89 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.165 0.986 . . . . 0.0 112.61 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.2 132.44 53.94 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 174.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 72.74 22.58 3.13 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.311 1.845 . . . . 0.0 112.995 -174.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -48.03 -41.01 24.59 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 121.265 -0.897 . . . . 0.0 112.352 171.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.01 -47.6 61.6 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.173 0.589 . . . . 0.0 111.092 174.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -65.59 -41.17 93.15 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.5 mm -55.1 -46.5 77.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.043 174.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.263 13.6 m -71.38 -32.7 47.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 120.474 1.488 . . . . 0.0 112.86 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -59.27 -51.26 70.74 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.513 1.051 . . . . 0.0 109.714 169.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.12 -42.46 80.92 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.146 0.978 . . . . 0.0 110.952 176.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 62.0 ttp -58.26 -49.89 75.51 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.517 1.127 . . . . 0.0 108.755 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -53.1 -50.13 65.06 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 175.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -58.93 -42.06 88.85 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.913 -0.492 . . . . 0.0 112.032 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 mt -64.45 -52.77 56.33 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.413 0.685 . . . . 0.0 111.161 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -71.91 -30.67 65.6 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.073 0.549 . . . . 0.0 112.223 -173.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -49.18 -42.02 38.59 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 123.776 0.83 . . . . 0.0 110.673 -173.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -53.08 -27.24 19.28 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.542 1.137 . . . . 0.0 112.582 -177.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -141.85 51.28 1.53 Allowed 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 167.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 p30 42.88 -89.93 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.07 2.148 . . . . 0.0 114.847 176.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -70.32 -25.56 63.37 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.375 1.47 . . . . 0.0 111.699 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -136.51 156.32 48.75 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.636 0.774 . . . . 0.0 110.726 -168.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.5 p -100.34 126.02 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 170.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -82.19 147.03 29.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 173.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -43.02 -51.78 5.55 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.693 1.197 . . . . 0.0 113.455 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -58.91 -40.11 83.53 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.506 -0.747 . . . . 0.0 110.46 -178.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -73.92 -37.08 64.72 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 123.736 0.815 . . . . 0.0 109.595 -176.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -55.13 -54.63 40.81 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.36 0.664 . . . . 0.0 109.919 169.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.8 mm -55.8 -54.76 22.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.9 m -49.64 -49.9 45.25 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 123.472 0.709 . . . . 0.0 111.047 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -64.85 -42.44 94.9 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 118.983 -0.532 . . . . 0.0 110.73 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.4 mt -57.3 -36.7 71.41 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.757 1.162 . . . . 0.0 110.074 172.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.09 -50.38 64.78 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 169.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.67 -47.71 73.27 Favored 'General case' 0 C--O 1.224 -0.256 0 O-C-N 121.97 -0.723 . . . . 0.0 110.897 175.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.4 tp -57.47 -47.62 81.39 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.941 1.297 . . . . 0.0 109.773 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.96 -44.48 87.07 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.668 0.787 . . . . 0.0 110.701 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.1 ttp -61.6 -47.66 84.47 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.9 mt -60.58 -33.82 56.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 125.04 1.336 . . . . 0.0 111.026 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -50.88 -36.91 40.49 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.017 0.826 . . . . 0.0 110.752 171.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 65.76 -67.25 0.14 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 127.655 2.382 . . . . 0.0 111.264 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -54.72 -35.08 63.29 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.079 1.352 . . . . 0.0 110.932 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.67 -35.97 69.02 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.823 0.449 . . . . 0.0 112.178 175.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.92 -59.13 2.69 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -57.29 -42.16 81.2 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.739 0.815 . . . . 0.0 111.911 -168.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 116.9 -2.055 . . . . 0.0 110.57 175.173 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ptp . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 121.708 0.766 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.82 -48.98 11.68 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.773 0.829 . . . . 0.0 110.285 -175.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -44.66 -45.45 24.09 Favored Pre-proline 0 N--CA 1.45 -0.454 0 C-N-CA 126.075 1.75 . . . . 0.0 114.185 -174.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -54.22 -44.23 51.29 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.163 2.576 . . . . 0.0 112.998 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 56.0 tp -74.43 -49.56 21.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 119.422 -0.911 . . . . 0.0 109.281 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -53.9 -43.86 70.05 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 119.537 -0.268 . . . . 0.0 111.272 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -63.94 -37.89 89.06 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.45 0.568 . . . . 0.0 111.634 176.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.48 -53.89 36.12 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.791 -0.568 . . . . 0.0 110.632 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 26.8 pt -57.44 -42.15 80.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 174.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.94 -45.77 9.26 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 125.226 1.393 . . . . 0.0 112.678 169.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.89 -59.83 4.64 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.096 0.958 . . . . 0.0 109.715 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -53.18 -46.26 68.87 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.601 0.76 . . . . 0.0 110.294 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 57.1 mt -59.59 -52.87 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.772 0.829 . . . . 0.0 109.761 -178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.71 -55.37 30.35 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 mt -50.18 -48.54 24.07 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -62.83 -65.73 0.64 Allowed 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.42 0.628 . . . . 0.0 111.71 -178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.85 -24.63 65.28 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -166.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -60.48 -46.07 91.42 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.196 0.907 . . . . 0.0 109.895 169.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -67.68 -44.63 77.35 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.942 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 35.0 m -49.36 -46.18 46.77 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 119.208 0.913 . . . . 0.0 110.347 170.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -43.7 -31.26 1.74 Allowed Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.633 1.587 . . . . 0.0 113.891 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -54.32 -40.8 68.32 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.054 0.927 . . . . 0.0 111.294 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -94.59 -40.5 9.81 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.24 1.016 . . . . 0.0 110.999 174.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.46 176.48 38.25 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 176.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -76.49 48.26 0.53 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.025 0.93 . . . . 0.0 111.146 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -95.31 135.23 37.17 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.683 1.593 . . . . 0.0 107.427 -176.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -80.58 49.26 1.15 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.736 0.779 . . . . 0.0 110.328 -179.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 4.4 t -157.77 158.07 34.58 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 127.423 2.289 . . . . 0.0 105.758 -177.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 tt -148.6 129.33 14.17 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -168.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 7.9 p -78.72 166.44 22.48 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.93 0.786 . . . . 0.0 112.702 -169.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -60.64 -57.87 10.88 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -169.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -69.51 -33.08 72.31 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.318 -0.864 . . . . 0.0 110.001 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -59.02 -45.15 91.43 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.835 0.854 . . . . 0.0 109.792 174.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.94 -49.71 75.84 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.522 0.729 . . . . 0.0 109.115 170.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -52.71 -42.94 65.31 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.281 -0.887 . . . . 0.0 110.712 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -65.55 -39.42 91.69 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.256 1.422 . . . . 0.0 111.793 177.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tt -53.6 -53.49 51.0 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 169.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 52.9 mt -58.67 -52.98 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-O 118.929 -0.557 . . . . 0.0 109.71 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -56.94 -37.99 72.29 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.867 0.758 . . . . 0.0 111.448 -174.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -75.85 -59.85 2.58 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.088 176.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -74.49 -52.06 13.02 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.007 0.432 . . . . 0.0 111.2 -168.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -93.41 68.18 4.12 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.76 79.17 0.07 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.864 0.865 . . . . 0.0 111.699 -171.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 27.7 mm -48.87 -43.87 14.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 125.962 1.705 . . . . 0.0 112.295 -170.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.44 -62.61 2.27 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 -170.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.5 m -71.01 61.19 0.27 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.61 1.564 . . . . 0.0 111.868 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -60.17 -10.93 5.03 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.963 0.905 . . . . 0.0 112.313 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -50.23 -30.73 12.25 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.418 -0.801 . . . . 0.0 110.386 168.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -70.7 10.68 0.47 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.076 0.951 . . . . 0.0 113.475 175.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -44.32 -47.39 9.54 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 125.057 1.343 . . . . 0.0 112.196 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.38 -45.81 62.6 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.129 0.571 . . . . 0.0 111.137 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -65.11 -44.72 87.85 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 36.6 mm -55.78 -47.31 79.61 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 CA-C-O 118.734 -0.651 . . . . 0.0 110.469 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.263 17.4 m -72.74 -31.47 36.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 119.423 1.011 . . . . 0.0 112.728 -177.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -61.05 -50.76 72.02 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.732 1.151 . . . . 0.0 109.402 169.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 tt -54.18 -45.26 72.07 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.416 0.686 . . . . 0.0 111.029 175.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 60.3 ttp -57.57 -53.12 61.74 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 124.6 1.16 . . . . 0.0 108.848 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.02 -51.96 37.9 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 123.516 0.726 . . . . 0.0 110.117 175.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -58.31 -45.44 88.03 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 122.028 -0.42 . . . . 0.0 111.721 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.3 mt -57.96 -66.06 0.54 Allowed 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 172.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.04 -17.75 63.94 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -168.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 31.4 ttp-105 -57.58 -30.9 65.65 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.283 0.492 . . . . 0.0 110.287 173.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -52.37 -35.95 52.55 Favored 'General case' 0 C--N 1.341 0.228 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -177.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -130.68 51.01 2.16 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 168.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 40.15 20.8 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 129.472 3.109 . . . . 0.0 116.893 169.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 170.3 -37.15 0.0 OUTLIER 'General case' 0 C--O 1.234 0.27 0 C-N-CA 125.122 1.369 . . . . 0.0 109.245 -168.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -122.72 156.16 34.98 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.652 0.781 . . . . 0.0 110.362 173.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 7.8 p -98.19 126.18 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 168.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -81.39 144.23 31.58 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -46.07 -60.96 1.97 Allowed 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -169.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -52.24 -42.16 63.38 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.238 0.542 . . . . 0.0 110.577 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -70.99 -34.57 71.51 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.595 0.758 . . . . 0.0 110.522 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.12 -47.36 83.53 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 169.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.5 mm -57.88 -51.93 64.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 85.9 m -49.15 -49.02 44.3 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 121.612 -0.68 . . . . 0.0 111.468 174.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.71 -45.21 92.83 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 119.441 -0.314 . . . . 0.0 110.322 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 78.6 mt -58.59 -35.37 72.32 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.914 0.779 . . . . 0.0 110.935 173.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.44 -50.6 63.65 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 169.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.39 -41.15 79.71 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.796 -0.826 . . . . 0.0 110.777 174.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.0 tp -61.62 -44.98 95.97 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.816 0.846 . . . . 0.0 110.059 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.55 -50.75 67.16 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.584 0.753 . . . . 0.0 110.114 172.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 10.6 tpt -55.88 -45.88 78.45 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 60.6 mt -64.83 -45.36 95.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 C-N-CA 124.414 1.085 . . . . 0.0 110.403 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -53.83 -41.99 67.99 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.28 0.491 . . . . 0.0 109.85 175.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 9.7 t30 71.21 -60.47 0.51 Allowed 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 125.675 1.59 . . . . 0.0 113.295 168.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -50.1 -44.23 51.95 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.604 0.762 . . . . 0.0 109.86 176.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.23 -43.25 10.18 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.516 1.126 . . . . 0.0 112.208 173.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 26.2 mt -61.91 -40.41 95.37 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 123.617 0.767 . . . . 0.0 110.481 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -71.88 -42.88 66.28 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.415 -1.769 . . . . 0.0 110.325 174.566 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 120.437 0.161 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.18 -63.09 1.01 Allowed 'General case' 0 C--N 1.339 0.147 0 C-N-CA 124.344 1.058 . . . . 0.0 111.587 -176.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -60.14 6.58 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-O 117.504 -1.236 . . . . 0.0 111.54 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -39.62 -53.96 2.1 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 124.34 3.36 . . . . 0.0 115.206 172.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.9 tp -68.1 -50.27 55.99 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 117.956 -1.498 . . . . 0.0 110.493 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -51.48 -47.24 63.26 Favored 'General case' 0 CA--C 1.527 0.071 0 C-N-CA 123.64 0.776 . . . . 0.0 110.917 -176.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -64.89 -38.6 91.5 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 122.05 -0.406 . . . . 0.0 111.067 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.43 -54.45 36.35 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.753 -0.592 . . . . 0.0 111.234 178.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.4 pt -57.8 -42.92 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.11 -47.06 8.16 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 125.339 1.447 . . . . 0.0 112.36 169.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.59 -58.53 7.64 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.302 1.041 . . . . 0.0 109.833 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -53.77 -46.77 71.07 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 123.352 0.661 . . . . 0.0 110.189 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.6 mt -63.2 -48.82 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 122.855 0.462 . . . . 0.0 109.774 -176.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.8 -51.72 57.41 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.4 mt -51.33 -49.99 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 117.148 0.474 . . . . 0.0 109.782 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -58.04 -61.16 2.75 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.136 0.493 . . . . 0.0 110.522 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -65.91 -29.85 70.34 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -169.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -53.7 -44.18 69.57 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 171.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -78.61 -39.67 36.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 118.569 -0.729 . . . . 0.0 111.505 179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 m -52.55 -33.92 47.79 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.593 1.088 . . . . 0.0 111.577 169.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.89 -39.39 8.67 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.14 0.876 . . . . 0.0 112.43 171.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -59.65 -33.33 71.4 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.802 -0.822 . . . . 0.0 110.958 178.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -103.81 44.63 1.01 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.728 1.211 . . . . 0.0 109.487 170.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.53 -72.86 2.58 Favored Glycine 0 CA--C 1.525 0.666 0 O-C-N 121.612 -0.68 . . . . 0.0 111.606 172.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -176.18 -42.18 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.363 0.665 . . . . 0.0 112.06 -171.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -35.59 136.48 0.23 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 126.848 2.059 . . . . 0.0 112.496 -176.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -74.23 57.76 0.68 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.715 1.606 . . . . 0.0 112.796 -169.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 p -145.19 163.53 34.11 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 127.552 2.341 . . . . 0.0 106.637 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 tt -147.04 124.58 11.72 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -178.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.2 t -79.69 179.21 7.64 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -172.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -67.9 -69.98 0.29 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.318 1.047 . . . . 0.0 110.948 -169.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -62.96 -33.32 75.12 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.479 -0.763 . . . . 0.0 109.797 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -54.73 -47.73 73.42 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.796 0.839 . . . . 0.0 110.183 173.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.42 -52.97 63.39 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.15 0.58 . . . . 0.0 110.355 175.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.2 ptmm? -62.0 -31.03 71.37 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 117.214 -1.794 . . . . 0.0 111.254 -177.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.07 -51.6 68.95 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.864 0.466 . . . . 0.0 110.133 170.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -46.07 -55.31 7.11 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.662 0.785 . . . . 0.0 109.198 173.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.8 mt -59.32 -46.89 92.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 122.583 0.353 . . . . 0.0 111.397 -177.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -60.8 -40.1 91.42 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.612 -0.68 . . . . 0.0 111.53 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -69.47 -53.02 21.27 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.141 0.882 . . . . 0.0 111.685 176.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -80.62 -45.32 17.48 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -168.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.0 mt -93.85 -46.27 7.27 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.272 0.629 . . . . 0.0 110.779 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 m 63.67 65.55 0.72 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.775 0.797 . . . . 0.0 111.256 172.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.5 mp -71.48 86.69 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 176.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.81 -36.53 6.63 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.718 1.151 . . . . 0.0 112.294 175.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 t -70.64 64.01 0.29 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.936 0.894 . . . . 0.0 110.333 171.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -62.74 -12.96 27.33 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.403 -0.811 . . . . 0.0 112.562 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.4 mt -50.66 -33.26 21.77 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.734 -0.604 . . . . 0.0 110.241 168.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -77.15 13.24 1.17 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.973 0.909 . . . . 0.0 112.815 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -48.18 -41.51 27.21 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 119.869 1.213 . . . . 0.0 112.015 176.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.18 -47.54 54.49 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.325 0.65 . . . . 0.0 111.221 173.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -64.94 -41.87 95.13 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.4 mm -56.22 -48.64 79.11 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-O 118.944 -0.551 . . . . 0.0 110.401 175.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.3 m -70.04 -33.0 53.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 119.588 1.086 . . . . 0.0 112.143 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -59.52 -52.18 66.69 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.014 0.824 . . . . 0.0 109.964 170.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tt -55.11 -45.5 75.49 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.034 0.934 . . . . 0.0 110.849 176.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.8 ttp -56.15 -53.01 62.26 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.674 1.19 . . . . 0.0 108.763 177.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -51.65 -50.61 60.0 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -61.5 -29.65 70.12 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -178.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mt -71.33 -59.9 2.52 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.487 0.715 . . . . 0.0 110.578 171.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -65.27 -34.09 77.52 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.523 -0.736 . . . . 0.0 112.838 -173.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.3 ttp85 -44.22 -44.73 8.07 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 125.821 1.648 . . . . 0.0 111.047 -176.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -52.95 -31.14 38.71 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.725 0.81 . . . . 0.0 112.334 -175.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -135.28 50.4 2.14 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 168.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.2 p30 45.89 -85.47 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 127.407 2.283 . . . . 0.0 114.392 176.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -76.34 -36.98 57.95 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.045 0.938 . . . . 0.0 111.452 -170.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -128.33 154.06 46.35 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 124.452 1.101 . . . . 0.0 108.949 -176.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 p -90.95 130.29 40.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 166.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -82.56 150.82 26.7 Favored 'General case' 0 N--CA 1.458 -0.052 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -39.79 -55.19 2.0 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.854 1.262 . . . . 0.0 113.771 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -61.9 -41.66 98.17 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 121.183 -0.948 . . . . 0.0 110.689 -177.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -66.69 -36.65 83.0 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 122.318 -0.239 . . . . 0.0 110.65 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.72 -50.64 72.54 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.803 0.441 . . . . 0.0 110.233 170.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.6 mm -57.09 -53.22 46.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-N 118.64 0.654 . . . . 0.0 110.124 177.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.6 m -51.13 -48.12 61.86 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.749 -0.595 . . . . 0.0 111.296 176.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -60.59 -45.42 94.03 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.236 -0.29 . . . . 0.0 110.435 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.0 mt -58.41 -35.41 72.01 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.81 0.732 . . . . 0.0 110.576 174.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.1 -51.84 54.99 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 169.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.58 -46.31 77.27 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.732 -0.863 . . . . 0.0 110.844 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.5 tp -57.89 -45.49 86.34 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.279 1.031 . . . . 0.0 110.409 178.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.9 -45.49 78.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 121.979 -0.451 . . . . 0.0 110.011 172.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.1 ttp -60.11 -39.58 86.69 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 119.165 -0.445 . . . . 0.0 111.581 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 34.6 mm -55.22 -48.83 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 119.18 0.9 . . . . 0.0 108.743 169.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -71.92 39.44 0.07 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.397 1.079 . . . . 0.0 112.721 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -35.72 -42.68 0.26 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 128.329 2.652 . . . . 0.0 113.991 177.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -49.46 -41.43 40.28 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.413 0.685 . . . . 0.0 112.107 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.24 77.34 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.455 0.702 . . . . 0.0 111.655 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.8 mp -80.98 -53.08 6.74 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.568 0.747 . . . . 0.0 109.244 -174.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -77.32 -27.09 52.76 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -175.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.344 0 CA-C-O 117.821 -1.544 . . . . 0.0 111.056 -174.168 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptm . . . . . 0 N--CA 1.475 0.793 0 CA-C-O 120.736 0.303 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.71 -64.26 0.38 Allowed 'General case' 0 C--N 1.339 0.116 0 C-N-CA 128.756 2.822 . . . . 0.0 110.195 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -38.84 -48.93 3.94 Favored Pre-proline 0 N--CA 1.447 -0.599 0 C-N-CA 128.35 2.66 . . . . 0.0 113.655 -177.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.99 -46.47 13.12 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.992 1.795 . . . . 0.0 112.76 -174.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 42.3 tp -77.82 -44.98 25.72 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -50.66 -47.65 58.57 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.891 0.876 . . . . 0.0 110.767 -177.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -62.24 -39.04 91.52 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.145 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.1 -52.21 37.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.092 -0.38 . . . . 0.0 110.98 -177.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 37.1 pt -57.55 -47.19 85.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 174.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.49 -46.37 5.64 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.931 1.253 . . . . 0.0 112.219 171.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.91 -59.38 4.82 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.061 0.945 . . . . 0.0 110.541 177.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mp -54.23 -46.22 72.49 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.397 0.679 . . . . 0.0 110.625 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.98 -48.31 89.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -176.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.78 -56.64 24.07 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mt -49.43 -44.53 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 123.686 0.795 . . . . 0.0 110.869 177.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -62.08 -62.5 1.74 Allowed 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.2 0.524 . . . . 0.0 111.064 177.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -67.29 -28.75 68.28 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 122.065 -0.397 . . . . 0.0 112.006 -169.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -49.36 -45.79 46.21 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 124.914 1.286 . . . . 0.0 109.263 168.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -76.98 -54.08 7.01 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.689 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.4 m -46.36 -48.27 18.5 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.722 1.146 . . . . 0.0 111.948 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.0 -38.32 46.88 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 124.452 1.025 . . . . 0.0 113.108 178.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -45.46 -47.25 13.94 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 124.698 1.199 . . . . 0.0 111.72 -175.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -115.01 22.79 13.08 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.294 1.038 . . . . 0.0 110.451 -177.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.0 35.41 48.62 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.709 0.671 . . . . 0.0 112.883 -178.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -75.2 156.29 35.98 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 173.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -81.72 -143.13 0.05 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.792 0.837 . . . . 0.0 109.482 -175.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -77.35 49.34 0.7 Allowed 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.755 -1.216 . . . . 0.0 110.059 173.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.74 158.04 43.82 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 127.204 2.201 . . . . 0.0 107.556 -169.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 89.2 mt -135.27 136.69 41.87 Favored 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 170.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.0 m -78.3 154.1 31.18 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 170.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -61.42 -42.15 98.3 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 120.891 -1.13 . . . . 0.0 113.622 -169.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -68.79 -39.3 80.23 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.019 -1.051 . . . . 0.0 111.093 178.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -56.39 -48.12 77.56 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.83 -44.41 77.91 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.773 0.829 . . . . 0.0 110.049 172.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 67.5 tttt -53.65 -46.96 70.74 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 120.635 -1.291 . . . . 0.0 109.876 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.82 -36.85 82.37 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.544 0.738 . . . . 0.0 111.701 177.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.8 -56.71 17.28 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 169.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 51.9 mt -57.22 -47.57 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 119.235 -0.412 . . . . 0.0 110.521 -176.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -57.56 -39.07 75.86 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.602 0.637 . . . . 0.0 111.296 -174.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -81.36 -56.2 4.21 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.203 0.525 . . . . 0.0 111.277 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -80.48 -26.0 38.49 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.469 1.508 . . . . 0.0 114.132 -167.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 59.7 mt -114.12 73.69 0.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 105.104 -2.184 . . . . 0.0 105.104 168.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.8 61.03 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.583 2.353 . . . . 0.0 113.831 -168.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.19 104.09 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 O-C-N 121.067 -1.02 . . . . 0.0 109.359 174.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.96 58.1 2.67 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.121 0.867 . . . . 0.0 111.567 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.5 m -178.09 75.25 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 128.742 2.817 . . . . 0.0 105.048 -178.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -75.24 77.91 2.36 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -176.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 47.6 tp -143.74 -31.62 0.46 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.6 -1.182 . . . . 0.0 112.757 -166.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -78.02 38.68 0.28 Allowed 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.417 -0.802 . . . . 0.0 110.353 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -55.2 -45.0 75.85 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.466 1.106 . . . . 0.0 110.762 -169.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.34 -46.54 62.69 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.034 0.933 . . . . 0.0 111.041 175.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -66.54 -43.55 84.82 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 41.4 mm -55.19 -49.07 75.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 118.654 -0.688 . . . . 0.0 110.197 174.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.276 16.7 m -70.4 -33.2 52.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 120.024 1.284 . . . . 0.0 112.945 -177.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -57.76 -50.55 72.88 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.386 0.994 . . . . 0.0 109.144 169.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tt -56.6 -42.05 78.08 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.812 -0.555 . . . . 0.0 111.277 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 60.9 mtp -58.94 -48.5 81.27 Favored 'General case' 0 C--O 1.221 -0.432 0 O-C-N 121.48 -0.763 . . . . 0.0 110.067 175.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -52.83 -50.57 63.45 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 175.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -57.39 -43.04 83.34 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 122.82 0.448 . . . . 0.0 112.043 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.32 -57.29 10.85 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.564 0.62 . . . . 0.0 110.749 173.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.39 -9.84 51.04 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.688 1.195 . . . . 0.0 113.038 -172.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 21.4 mmt-85 -35.63 -42.8 0.25 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.184 0.994 . . . . 0.0 110.169 166.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -32.64 -60.46 0.3 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.221 1.409 . . . . 0.0 113.861 169.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -163.99 60.67 0.16 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.52 0.728 . . . . 0.0 111.541 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 49.99 -63.7 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 129.756 3.222 . . . . 0.0 116.817 168.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -81.37 -34.39 31.74 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.787 1.235 . . . . 0.0 110.09 175.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -135.69 157.67 46.28 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -168.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 t -101.85 145.85 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 128.091 2.556 . . . . 0.0 106.848 172.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -111.35 146.35 37.26 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.812 0.845 . . . . 0.0 108.79 171.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -39.83 -57.04 1.65 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.631 1.572 . . . . 0.0 114.374 -171.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -57.78 -39.3 77.16 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.313 -0.867 . . . . 0.0 111.333 -178.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -74.7 -35.48 62.72 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.418 0.687 . . . . 0.0 109.246 -177.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -55.96 -52.9 62.54 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 169.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 25.1 mm -55.94 -52.49 48.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 89.2 m -52.96 -46.34 68.15 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.745 0.418 . . . . 0.0 111.283 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -62.96 -43.85 97.65 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 121.962 -0.461 . . . . 0.0 110.501 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 73.7 mt -57.03 -32.04 65.76 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.211 0.914 . . . . 0.0 110.362 172.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.98 -51.69 57.78 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 168.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.48 -46.9 73.49 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.202 -1.175 . . . . 0.0 111.149 174.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 6.9 tp -58.42 -43.18 88.57 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.282 -0.886 . . . . 0.0 110.235 177.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.55 -35.4 72.27 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 121.688 -0.632 . . . . 0.0 111.199 172.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 90.0 mtp -66.03 -41.28 91.11 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.89 0.768 . . . . 0.0 111.602 170.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 45.1 mm -55.1 -39.27 49.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 118.518 0.599 . . . . 0.0 109.734 171.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -72.4 57.96 0.39 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 122.424 1.107 . . . . 0.0 109.853 170.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -47.6 -35.8 9.79 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 127.345 2.258 . . . . 0.0 111.473 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.8 mp0 -57.84 -45.64 85.94 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.448 0.699 . . . . 0.0 109.652 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.57 -41.26 79.97 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 122.976 0.511 . . . . 0.0 109.989 177.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 37.1 mt -53.09 -47.53 68.49 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.749 0.704 . . . . 0.0 110.996 173.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -64.12 -45.4 88.73 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.844 -1.531 . . . . 0.0 111.64 175.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.8 mtm . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 120.789 0.328 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.11 -62.33 0.36 Allowed 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 130.469 3.507 . . . . 0.0 110.685 176.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.03 -50.18 4.19 Favored Pre-proline 0 N--CA 1.45 -0.434 0 C-N-CA 127.63 2.372 . . . . 0.0 112.922 -177.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -60.57 -33.92 93.07 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.223 1.948 . . . . 0.0 113.6 -176.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.0 tp -81.8 -45.86 14.99 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 172.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -50.11 -46.92 54.12 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 124.091 0.956 . . . . 0.0 110.778 -175.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -55.02 -42.43 72.58 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.614 0.245 . . . . 0.0 111.441 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.43 -52.78 19.8 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.929 -0.482 . . . . 0.0 110.332 -173.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.8 pt -57.35 -42.31 80.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.86 -46.95 19.46 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 125.329 1.442 . . . . 0.0 112.162 171.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.67 -60.2 3.78 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.878 0.871 . . . . 0.0 110.259 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mp -53.26 -45.2 68.71 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.644 0.777 . . . . 0.0 110.299 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.2 mt -63.5 -48.35 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 122.705 0.402 . . . . 0.0 110.186 -177.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.72 -52.71 51.52 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.6 mt -50.86 -53.18 14.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -56.71 -57.69 11.33 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.257 0.551 . . . . 0.0 111.649 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -78.38 -16.83 57.25 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -168.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -56.9 -54.83 42.1 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 168.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -70.9 -42.24 70.2 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.742 -178.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m -65.27 -32.55 74.28 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.386 -0.821 . . . . 0.0 110.953 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.53 -48.19 75.9 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 170.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -45.71 -48.26 15.16 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.968 0.907 . . . . 0.0 111.793 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -75.97 67.43 2.33 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.694 0.759 . . . . 0.0 110.394 173.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.52 -69.93 1.4 Allowed Glycine 0 CA--C 1.527 0.816 0 C-N-CA 125.142 1.353 . . . . 0.0 111.885 175.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.1 t0 172.07 85.6 0.0 OUTLIER 'General case' 0 C--O 1.23 0.052 0 C-N-CA 127.135 2.174 . . . . 0.0 107.557 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.26 161.45 18.97 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 174.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -113.74 30.41 7.26 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.405 1.082 . . . . 0.0 108.778 169.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.6 t -155.71 140.46 17.09 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 105.176 -2.157 . . . . 0.0 105.176 -176.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.3 mt -98.65 129.54 45.14 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -178.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.6 t -78.35 172.82 13.05 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.36 0.6 . . . . 0.0 109.514 171.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -56.99 -63.12 1.31 Allowed 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 125.057 1.343 . . . . 0.0 112.179 -168.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -37.6 85.73 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -178.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -61.42 -45.83 92.67 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.594 -0.692 . . . . 0.0 110.686 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -57.66 -50.75 72.15 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -49.6 -47.36 49.58 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.794 -0.566 . . . . 0.0 110.329 175.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -58.28 -49.47 77.03 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.836 0.854 . . . . 0.0 110.707 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 tt -49.38 -51.34 35.5 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.444 0.698 . . . . 0.0 109.425 173.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.7 mt -63.77 -45.06 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-O 118.631 -0.7 . . . . 0.0 111.777 -178.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -56.71 -40.92 76.5 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.937 1.244 . . . . 0.0 110.595 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -50.34 42.68 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.734 -0.604 . . . . 0.0 111.274 176.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -66.74 -59.28 3.71 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.564 1.146 . . . . 0.0 110.67 -173.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.2 mt -110.83 70.86 0.73 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 126.94 2.096 . . . . 0.0 107.826 -176.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 m -68.24 74.51 0.23 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.808 0.843 . . . . 0.0 111.202 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.3 -32.67 19.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 C-N-CA 124.662 1.185 . . . . 0.0 112.63 -179.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.97 -53.49 3.75 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.2 m -63.25 74.15 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.856 1.663 . . . . 0.0 110.986 172.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -51.83 -21.92 3.27 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.447 1.499 . . . . 0.0 113.905 -175.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -49.81 -40.51 42.04 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.486 1.039 . . . . 0.0 110.769 170.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -65.41 -9.2 23.2 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.663 0.785 . . . . 0.0 112.805 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -50.22 -33.16 18.53 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 119.212 0.914 . . . . 0.0 111.213 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.47 -50.96 64.21 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.472 0.578 . . . . 0.0 111.201 171.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -61.1 -44.17 97.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.9 mm -57.88 -45.83 87.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 118.597 -0.716 . . . . 0.0 111.007 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.1 m -68.25 -34.85 68.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 120.161 1.346 . . . . 0.0 111.482 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -58.66 -52.25 66.49 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.086 0.857 . . . . 0.0 110.045 171.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.42 -43.99 75.83 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.53 0.732 . . . . 0.0 110.821 176.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -58.84 -43.4 90.72 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.63 0.772 . . . . 0.0 109.926 176.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.03 -47.63 85.06 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 175.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -54.45 -47.58 72.74 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.793 -0.567 . . . . 0.0 111.098 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mt -56.12 -57.2 13.19 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.504 0.721 . . . . 0.0 110.632 174.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.7 p30 -66.7 -27.35 67.57 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 121.156 -0.965 . . . . 0.0 112.98 -172.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -45.45 -41.59 9.57 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.527 1.131 . . . . 0.0 111.609 -177.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -36.79 -40.5 0.27 Allowed 'General case' 0 C--N 1.344 0.352 0 C-N-CA 125.391 1.476 . . . . 0.0 113.094 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -150.82 59.13 0.93 Allowed 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 173.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 p30 44.44 -80.4 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.627 1.971 . . . . 0.0 114.753 172.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -75.52 -34.18 60.77 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.173 0.989 . . . . 0.0 113.409 -174.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -133.41 151.61 51.83 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.3 0.955 . . . . 0.0 113.251 -169.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.0 t -93.7 100.89 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 126.86 2.064 . . . . 0.0 109.187 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -79.56 148.91 31.57 Favored 'General case' 0 C--N 1.333 -0.115 0 O-C-N 121.923 -0.486 . . . . 0.0 110.759 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -43.46 -62.4 1.09 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -169.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -59.6 -30.95 69.04 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.419 -0.801 . . . . 0.0 111.255 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -75.4 -37.42 60.52 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.876 0.47 . . . . 0.0 109.83 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -55.79 -51.96 65.64 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 168.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.5 mm -55.91 -52.52 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.1 m -54.78 -46.04 74.35 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.257 0.623 . . . . 0.0 111.149 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -61.88 -44.19 97.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 121.939 -0.476 . . . . 0.0 110.425 177.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.7 mt -56.5 -35.39 67.95 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.905 0.775 . . . . 0.0 110.446 172.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.74 -52.52 50.15 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 168.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.76 -44.56 73.74 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.318 -1.107 . . . . 0.0 111.188 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.1 tp -58.61 -46.54 86.81 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.12 0.968 . . . . 0.0 110.027 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.74 -46.18 84.82 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.627 0.771 . . . . 0.0 110.973 175.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 35.6 tpp -60.03 -44.61 94.5 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.173 -0.33 . . . . 0.0 110.871 176.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.5 mt -59.08 -41.58 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.708 0.803 . . . . 0.0 109.443 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -72.52 56.99 0.39 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.167 0.587 . . . . 0.0 109.873 169.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -62.34 -26.48 68.47 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 121.086 -1.009 . . . . 0.0 112.313 -169.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -56.1 -49.32 74.19 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 122.966 0.506 . . . . 0.0 110.159 169.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.05 -43.62 98.14 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.8 -52.26 57.55 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 123.424 0.452 . . . . 0.0 110.376 177.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -55.72 -58.29 8.46 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.129 0.572 . . . . 0.0 110.16 174.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.192 0 CA-C-O 117.01 -1.994 . . . . 0.0 113.342 174.26 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.6 mtm . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 120.976 0.417 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 73.23 -59.52 0.56 Allowed 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 128.418 2.687 . . . . 0.0 111.643 175.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -44.5 -47.34 26.51 Favored Pre-proline 0 CA--C 1.536 0.42 0 C-N-CA 124.378 1.071 . . . . 0.0 113.394 -172.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -59.35 -34.14 97.68 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.067 1.844 . . . . 0.0 113.912 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 65.4 tp -81.75 -45.37 15.75 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.437 0.562 . . . . 0.0 109.986 172.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -49.85 -46.26 51.19 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 123.738 0.815 . . . . 0.0 110.61 -175.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -55.61 -42.59 75.07 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 120.669 0.271 . . . . 0.0 111.343 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.04 -53.21 15.52 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 121.865 -0.522 . . . . 0.0 110.476 -173.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.6 pt -56.82 -42.45 77.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 119.399 -0.92 . . . . 0.0 108.979 173.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.33 -43.12 26.41 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 125.531 1.539 . . . . 0.0 112.47 173.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -62.36 1.9 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.121 0.96 . . . . 0.0 110.039 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -51.22 -47.14 62.39 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.99 0.916 . . . . 0.0 110.257 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 62.4 mt -60.96 -51.93 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 123.018 0.527 . . . . 0.0 109.925 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.28 -55.08 28.31 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 10.2 mt -48.45 -54.99 3.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -59.85 -53.52 56.9 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.232 0.539 . . . . 0.0 111.982 -175.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -74.73 -29.45 61.18 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 121.973 -0.454 . . . . 0.0 111.686 -169.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -57.08 -52.83 63.73 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 170.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -59.67 -46.87 87.75 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 119.355 -0.355 . . . . 0.0 111.14 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 18.6 m -51.21 -45.1 61.78 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.698 0.761 . . . . 0.0 111.366 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.89 -26.74 61.03 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 123.942 0.782 . . . . 0.0 113.109 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -59.4 -49.59 77.21 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 118.43 1.115 . . . . 0.0 110.483 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -85.98 -23.2 26.98 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.826 0.45 . . . . 0.0 110.6 176.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.8 39.09 18.14 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -82.88 -177.95 6.94 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 173.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -71.52 -90.86 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 171.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -141.13 52.25 1.58 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.63 0.772 . . . . 0.0 109.594 -176.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 29.2 m -154.84 114.02 3.66 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.77 1.228 . . . . 0.0 109.814 -173.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 29.6 mt -79.94 166.0 22.07 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 34.0 p -100.15 152.27 20.45 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 167.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -51.69 -43.45 62.78 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -172.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -73.0 -33.1 65.58 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.439 -0.788 . . . . 0.0 110.858 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.05 -39.68 93.67 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.227 -0.92 . . . . 0.0 109.619 172.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -56.32 -47.56 78.51 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 170.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -52.8 -48.46 66.87 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 120.775 -1.203 . . . . 0.0 111.069 172.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -58.45 -36.01 73.03 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 122.737 0.415 . . . . 0.0 111.793 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.25 -56.42 21.8 Favored 'General case' 0 N--CA 1.458 -0.053 0 C-N-CA 123.953 0.901 . . . . 0.0 109.383 170.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 51.4 mt -56.21 -50.04 73.12 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 C-N-CA 122.639 0.376 . . . . 0.0 111.155 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -56.18 -39.3 72.17 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.629 0.65 . . . . 0.0 110.712 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -72.46 -53.91 10.8 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 121.92 -0.488 . . . . 0.0 111.477 177.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -78.38 -49.84 12.81 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 122.199 -0.313 . . . . 0.0 111.222 -169.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.0 mt -110.33 62.72 0.6 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.767 2.027 . . . . 0.0 108.528 -176.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.2 m -65.09 79.37 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.523 1.129 . . . . 0.0 112.69 -175.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.39 80.9 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 123.858 0.863 . . . . 0.0 110.824 169.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.23 -34.09 16.89 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 125.409 1.48 . . . . 0.0 112.551 174.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.1 m -67.69 73.18 0.16 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.088 0.955 . . . . 0.0 109.815 169.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -50.79 -26.4 5.63 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -168.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 81.3 mt -48.36 -39.0 20.76 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.147 0.885 . . . . 0.0 111.449 172.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -59.52 -13.81 10.49 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.535 0.734 . . . . 0.0 112.94 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -48.47 -34.84 11.81 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.872 1.215 . . . . 0.0 111.278 171.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.47 -48.48 77.0 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.392 0.615 . . . . 0.0 111.103 172.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -62.1 -42.09 98.87 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 24.1 mm -56.8 -45.27 83.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 CA-C-O 117.689 -1.148 . . . . 0.0 110.926 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.267 7.1 m -67.97 -33.73 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 121.008 1.731 . . . . 0.0 112.656 178.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -59.93 -50.43 73.81 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.368 0.986 . . . . 0.0 110.221 170.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -60.95 -41.24 95.93 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.652 0.781 . . . . 0.0 110.889 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 24.6 ttp -57.76 -53.09 62.16 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 125.192 1.397 . . . . 0.0 108.458 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -50.84 -50.07 57.49 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.986 0.514 . . . . 0.0 109.973 175.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -58.32 -45.38 88.16 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.965 -0.459 . . . . 0.0 112.176 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.1 mt -60.19 -52.59 64.65 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.499 0.72 . . . . 0.0 110.903 175.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.33 -19.59 46.18 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -169.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 28.9 ttm105 -53.08 -44.08 67.26 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -52.57 -35.4 53.8 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.831 0.852 . . . . 0.0 112.401 -173.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -130.14 51.85 2.06 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 170.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 24.95 68.25 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 127.603 2.361 . . . . 0.0 115.035 172.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 104.37 -15.95 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 128.675 2.79 . . . . 0.0 112.245 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -105.75 156.57 18.17 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.849 0.86 . . . . 0.0 109.271 171.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 39.9 t -123.86 103.93 13.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -77.72 150.82 34.38 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -44.82 -49.52 10.74 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -56.2 -47.94 77.39 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.796 -0.565 . . . . 0.0 110.161 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -62.98 -43.84 97.68 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.823 0.849 . . . . 0.0 109.553 -176.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -53.16 -55.77 21.55 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.813 0.845 . . . . 0.0 110.658 172.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.1 mm -57.97 -54.58 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 118.673 0.67 . . . . 0.0 110.353 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 96.2 m -51.85 -45.62 64.1 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.728 0.811 . . . . 0.0 111.57 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -64.85 -45.18 87.17 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 122.076 -0.39 . . . . 0.0 110.381 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 76.7 mt -57.21 -34.08 68.17 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.503 -0.748 . . . . 0.0 110.236 173.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.35 -50.58 63.64 Favored Glycine 0 CA--C 1.532 1.136 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 169.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.31 -49.93 68.53 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.804 -0.821 . . . . 0.0 110.639 173.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.7 tp -58.76 -42.01 87.9 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.609 0.764 . . . . 0.0 110.931 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.54 -44.47 85.18 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 121.757 -0.59 . . . . 0.0 110.266 173.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 20.8 ttt -64.31 -39.91 94.86 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.307 -0.246 . . . . 0.0 111.29 176.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 11.2 mm -55.65 -45.83 79.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -73.29 55.7 0.46 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.315 0.646 . . . . 0.0 110.57 172.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -49.95 -39.53 40.85 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.241 1.416 . . . . 0.0 112.306 -173.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -40.99 -45.2 2.54 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.918 1.287 . . . . 0.0 112.293 172.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.9 -34.28 67.76 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.391 0.677 . . . . 0.0 111.596 -178.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 60.9 mt -57.98 -26.72 62.7 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.092 0.557 . . . . 0.0 111.302 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -73.48 -17.44 61.23 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.558 -0.714 . . . . 0.0 110.809 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 117.168 -1.907 . . . . 0.0 111.166 176.517 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 110.595 -0.15 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.22 -39.37 23.18 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 122.726 0.411 . . . . 0.0 110.474 -172.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -42.23 -51.25 10.92 Favored Pre-proline 0 N--CA 1.451 -0.396 0 C-N-CA 125.865 1.666 . . . . 0.0 113.663 -172.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -51.68 -48.4 21.61 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.356 2.704 . . . . 0.0 112.619 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.4 tp -70.78 -45.78 64.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.626 -0.671 . . . . 0.0 109.392 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -53.13 -49.59 66.25 Favored 'General case' 0 N--CA 1.458 -0.063 0 C-N-CA 122.79 0.436 . . . . 0.0 110.479 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -62.04 -40.18 94.84 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.173 -0.329 . . . . 0.0 110.876 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.81 -55.66 27.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.51 0.596 . . . . 0.0 111.476 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 pt -57.79 -43.08 83.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.81 -41.65 20.52 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.56 1.552 . . . . 0.0 112.873 170.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.39 -58.91 5.94 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.222 1.011 . . . . 0.0 109.715 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -50.38 -48.41 55.89 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.802 0.841 . . . . 0.0 109.362 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.4 mt -58.23 -52.81 54.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 C-N-CA 122.671 0.389 . . . . 0.0 110.346 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.8 -54.75 29.12 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.1 mt -51.56 -56.37 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -53.14 -53.18 54.32 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.924 0.393 . . . . 0.0 111.452 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -72.14 -28.16 63.07 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 118.424 -0.798 . . . . 0.0 112.743 -172.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -59.03 -55.02 40.49 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.436 1.016 . . . . 0.0 108.919 169.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -61.57 -46.89 87.96 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.761 -178.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.4 m -60.02 -52.15 66.59 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.772 -0.58 . . . . 0.0 109.751 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.1 -45.23 26.84 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 124.642 1.115 . . . . 0.0 111.805 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -50.59 -33.92 23.88 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 117.613 0.707 . . . . 0.0 112.825 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.85 21.56 14.81 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.757 0.708 . . . . 0.0 112.085 176.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.88 -25.77 5.75 Favored Glycine 0 CA--C 1.528 0.864 0 CA-C-O 118.552 -1.138 . . . . 0.0 114.23 169.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -67.05 149.7 50.24 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.709 1.754 . . . . 0.0 110.714 -176.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -96.24 -94.12 0.2 Allowed 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -79.45 27.71 0.26 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -169.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.6 t -155.79 143.72 19.79 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.564 -0.71 . . . . 0.0 109.962 -178.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.7 mt -105.49 139.27 40.36 Favored 'General case' 0 CA--C 1.522 -0.122 0 C-N-CA 125.071 1.348 . . . . 0.0 108.287 169.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.4 p -79.68 155.64 27.94 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.559 0.618 . . . . 0.0 109.963 169.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -48.8 -50.29 34.95 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.772 1.229 . . . . 0.0 113.557 -171.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -76.55 -28.28 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.92 -0.487 . . . . 0.0 110.38 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -66.13 -40.37 90.6 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 173.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -56.23 -51.18 69.01 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 170.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -53.08 -45.83 68.35 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.083 -1.011 . . . . 0.0 110.672 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -55.3 -48.34 74.24 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.021 0.528 . . . . 0.0 110.537 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 tt -50.37 -55.1 17.1 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 124.155 0.982 . . . . 0.0 109.291 176.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.98 -51.69 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.278 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -63.94 -25.15 68.01 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 118.633 -0.699 . . . . 0.0 112.277 -175.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.86 -57.08 3.71 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 119.387 0.994 . . . . 0.0 110.803 170.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -65.3 -65.09 0.72 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.979 0.895 . . . . 0.0 109.185 -174.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -87.02 55.77 3.72 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 -178.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 t -65.19 117.29 7.57 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.383 -172.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.1 mt -83.3 -32.8 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.676 -169.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.74 -60.59 2.51 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -169.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.5 m -70.97 71.3 0.54 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.58 0.752 . . . . 0.0 110.017 171.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -56.73 -15.33 4.4 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.9 mt -45.99 -37.9 7.11 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.887 0.875 . . . . 0.0 111.747 169.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -64.65 -9.36 19.15 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -52.14 -26.42 11.28 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.695 0.68 . . . . 0.0 112.337 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.39 -50.33 40.77 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.47 0.577 . . . . 0.0 111.98 170.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -64.31 -41.58 96.77 Favored 'General case' 0 C--O 1.231 0.119 0 O-C-N 121.25 -0.906 . . . . 0.0 109.407 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.8 mm -58.35 -38.21 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 118.357 -0.83 . . . . 0.0 110.854 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.251 7.9 m -68.85 -37.59 77.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 120.118 1.327 . . . . 0.0 112.529 176.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -60.65 -51.53 69.0 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.36 0.982 . . . . 0.0 109.595 172.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 tt -53.42 -45.43 69.38 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.289 0.636 . . . . 0.0 111.129 175.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -62.15 -42.96 99.76 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.114 0.965 . . . . 0.0 109.641 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -56.79 -47.65 79.69 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -61.21 -43.27 99.15 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.924 -0.485 . . . . 0.0 111.631 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mt -60.5 -59.77 4.88 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.079 0.552 . . . . 0.0 110.434 173.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -69.82 -21.77 63.36 Favored 'General case' 0 N--CA 1.46 0.074 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -169.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.9 ttp-105 -29.92 -55.08 0.17 Allowed 'General case' 0 C--N 1.342 0.242 0 C-N-CA 126.165 1.786 . . . . 0.0 110.456 169.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -32.72 -51.21 0.28 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 126.831 2.052 . . . . 0.0 114.57 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -135.75 54.86 1.89 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 173.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.267 4.3 p30 52.81 -64.39 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 128.241 2.616 . . . . 0.0 115.998 176.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -120.93 1.66 10.44 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.583 1.953 . . . . 0.0 111.543 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -129.99 150.14 51.4 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.617 0.767 . . . . 0.0 110.182 176.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.2 t -107.05 123.83 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 174.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -79.3 154.41 29.13 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 120.415 1.461 . . . . 0.0 109.822 170.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -43.32 -53.55 5.18 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 174.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -66.3 -36.14 82.19 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 120.969 -1.082 . . . . 0.0 110.897 -175.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -59.46 -50.15 75.06 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 171.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -52.86 -52.22 58.16 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.579 0.352 . . . . 0.0 110.283 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.5 mm -57.12 -54.39 30.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 118.082 0.401 . . . . 0.0 110.336 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.2 m -48.15 -51.63 24.11 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.597 0.759 . . . . 0.0 111.081 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -64.76 -40.44 95.29 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 123.818 0.847 . . . . 0.0 110.428 -178.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.5 mt -57.95 -35.37 71.04 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.667 1.122 . . . . 0.0 110.168 171.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.75 -51.36 58.47 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 168.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.76 -42.2 71.38 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.947 -0.737 . . . . 0.0 110.944 175.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.9 tp -62.13 -44.9 95.61 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.793 1.237 . . . . 0.0 109.774 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.04 -49.2 72.18 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.189 0.596 . . . . 0.0 110.025 172.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -43.74 88.75 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 122.826 0.451 . . . . 0.0 111.014 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.1 mt -66.03 -44.28 92.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 124.644 1.178 . . . . 0.0 110.419 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -53.88 -45.97 71.22 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 171.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 72.45 -57.25 0.63 Allowed 'General case' 0 C--O 1.228 -0.059 0 C-N-CA 125.841 1.656 . . . . 0.0 113.945 166.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -52.36 -40.73 62.36 Favored 'General case' 0 CA--C 1.529 0.163 0 O-C-N 121.824 -0.547 . . . . 0.0 109.61 173.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.09 -39.02 8.74 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.531 1.133 . . . . 0.0 112.526 173.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.0 mt -62.47 -33.33 74.63 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.092 0.557 . . . . 0.0 110.882 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -87.82 -48.9 7.47 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.796 1.238 . . . . 0.0 109.202 -175.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.185 0 CA-C-O 117.256 -1.858 . . . . 0.0 110.044 -179.346 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.39 -58.73 2.77 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.493 1.117 . . . . 0.0 111.379 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -43.47 -60.13 2.78 Favored Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 125.176 1.39 . . . . 0.0 114.603 -172.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -51.92 -44.72 43.31 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.529 2.153 . . . . 0.0 113.0 177.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.1 tp -65.78 -47.63 74.51 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 119.334 -0.946 . . . . 0.0 110.23 177.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -53.32 -50.0 65.89 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.7 0.8 . . . . 0.0 110.086 -177.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -61.14 -40.74 94.95 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.07 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.5 -55.16 34.14 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.664 0.665 . . . . 0.0 111.811 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 31.0 pt -57.71 -44.24 85.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.07 -45.39 9.62 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 125.324 1.44 . . . . 0.0 112.454 170.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.72 -59.74 4.75 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.227 1.011 . . . . 0.0 109.99 -178.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 mp -51.68 -49.52 62.22 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.661 0.784 . . . . 0.0 109.719 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.68 -47.68 88.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.307 -176.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.42 -56.67 23.16 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.8 mt -45.57 -50.37 3.49 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 C-N-CA 123.581 0.752 . . . . 0.0 109.317 177.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -59.48 -65.19 0.71 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.649 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -64.63 -32.95 74.84 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -168.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -56.85 -43.9 81.61 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 173.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -69.19 -47.71 64.14 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 118.301 -0.857 . . . . 0.0 111.423 175.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.5 m -47.7 -44.45 27.6 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 119.598 1.09 . . . . 0.0 111.778 177.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.54 -29.78 7.85 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 123.882 0.753 . . . . 0.0 113.853 177.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -58.87 -42.93 90.59 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.143 0.977 . . . . 0.0 111.749 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -161.27 -37.82 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -174.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.27 -47.42 61.77 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.3 t70 51.96 29.87 6.64 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.899 1.68 . . . . 0.0 112.736 175.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -154.05 -176.74 6.0 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 127.056 2.143 . . . . 0.0 105.32 177.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -77.38 52.29 0.93 Allowed 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.743 -0.598 . . . . 0.0 110.3 174.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 80.5 p -142.31 159.27 42.56 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.079 1.351 . . . . 0.0 109.695 -176.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 89.8 mt -130.71 130.64 44.08 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 168.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.5 t -78.82 178.39 7.97 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.375 0.534 . . . . 0.0 110.042 173.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -63.6 -64.42 0.9 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.716 0.806 . . . . 0.0 111.142 -169.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -66.19 -33.26 75.36 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.651 -0.655 . . . . 0.0 110.531 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -55.86 -51.3 68.03 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.349 0.659 . . . . 0.0 109.635 173.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.21 -47.5 83.28 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.207 0.603 . . . . 0.0 109.529 174.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -56.79 -39.35 73.92 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 120.846 -1.159 . . . . 0.0 111.233 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -65.03 -34.27 78.03 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.726 0.81 . . . . 0.0 111.144 177.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 tt -58.97 -55.97 28.32 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 169.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 54.5 mt -57.2 -53.47 43.05 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 CA-C-O 119.499 -0.286 . . . . 0.0 110.598 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -52.43 -35.14 51.49 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 118.219 0.463 . . . . 0.0 111.686 -178.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -74.13 -61.15 1.96 Allowed 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 117.748 0.249 . . . . 0.0 110.801 175.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -68.87 -63.18 1.11 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 122.182 0.991 . . . . 0.0 109.244 -172.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 46.5 mt -84.65 74.4 10.44 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.73 70.74 0.13 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.2 1.4 . . . . 0.0 111.491 -175.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 6.2 pt -69.52 76.37 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 124.842 1.257 . . . . 0.0 112.065 -175.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.55 -38.99 14.92 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.147 0.879 . . . . 0.0 111.464 169.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 33.4 t -70.26 70.48 0.4 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.4 0.68 . . . . 0.0 109.72 169.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -53.45 -18.7 2.89 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.786 1.635 . . . . 0.0 114.133 -174.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 83.0 mt -47.61 -35.26 9.01 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.835 0.743 . . . . 0.0 111.575 169.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -59.79 -18.28 42.27 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 178.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -48.76 -45.23 39.54 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.336 0.971 . . . . 0.0 112.726 -173.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.54 -45.85 69.97 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.459 0.647 . . . . 0.0 110.89 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -64.92 -42.19 94.9 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 26.3 mm -56.65 -48.31 80.89 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 CA-C-O 117.888 -1.053 . . . . 0.0 111.078 174.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.257 7.2 m -67.77 -33.82 63.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 120.606 1.548 . . . . 0.0 112.177 -178.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -60.19 -49.47 77.48 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.123 0.874 . . . . 0.0 110.163 170.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.12 -41.43 88.2 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.89 0.876 . . . . 0.0 111.575 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 51.6 ttp -58.14 -53.9 52.99 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.978 1.311 . . . . 0.0 107.992 175.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -50.44 -51.71 44.37 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 123.645 0.59 . . . . 0.0 109.506 175.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -53.78 -51.55 63.07 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.771 0.714 . . . . 0.0 111.925 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.7 mt -53.96 -59.92 4.01 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.377 0.671 . . . . 0.0 110.609 177.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -67.49 -32.35 73.11 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -173.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 45.2 ttm105 -47.69 -42.77 25.71 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 124.043 0.937 . . . . 0.0 110.911 -170.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -49.41 -36.93 23.57 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -176.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -133.21 48.09 2.43 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.38 0.672 . . . . 0.0 109.287 171.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 p30 37.81 -84.71 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.949 2.5 . . . . 0.0 115.232 175.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -61.72 -34.21 75.39 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.629 1.172 . . . . 0.0 111.617 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -140.32 161.82 36.78 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 118.556 0.616 . . . . 0.0 111.927 -175.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 10.6 p -103.63 129.4 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 166.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -84.59 154.8 22.38 Favored 'General case' 0 CA--C 1.526 0.044 0 O-C-N 121.99 -0.444 . . . . 0.0 109.878 175.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -40.77 -51.8 3.05 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.751 1.22 . . . . 0.0 114.072 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.0 tp60 -59.8 -45.56 91.92 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.193 -0.942 . . . . 0.0 110.436 -178.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.08 -40.24 94.38 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.688 0.795 . . . . 0.0 109.671 -178.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -55.01 -53.62 53.47 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.401 0.681 . . . . 0.0 110.331 172.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.0 mm -57.6 -53.04 49.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 118.257 0.48 . . . . 0.0 109.924 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 61.7 m -51.77 -47.16 64.29 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.911 -0.493 . . . . 0.0 111.499 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -61.72 -46.2 90.67 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 122.554 0.342 . . . . 0.0 110.217 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 79.1 mt -57.73 -36.33 71.9 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.605 0.639 . . . . 0.0 110.53 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.69 -51.26 57.87 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 169.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.15 -44.21 83.21 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.712 -0.876 . . . . 0.0 110.943 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 tp -57.4 -48.83 78.07 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.285 1.034 . . . . 0.0 109.81 177.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.1 86.07 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.719 0.807 . . . . 0.0 111.016 176.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 21.5 ttt -66.36 -41.37 89.58 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.975 -0.453 . . . . 0.0 111.085 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 66.6 mt -59.96 -40.28 82.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.758 0.823 . . . . 0.0 109.203 173.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -71.42 55.39 0.23 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.513 0.725 . . . . 0.0 110.211 169.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -27.46 68.61 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 120.9 -1.125 . . . . 0.0 111.219 -170.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -56.76 -36.57 69.94 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.714 -0.616 . . . . 0.0 111.729 172.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.55 89.13 Favored 'General case' 0 CA--C 1.528 0.12 0 O-C-N 121.969 -0.457 . . . . 0.0 109.877 175.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 mt -60.13 -45.67 92.24 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.486 176.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.85 -46.64 89.78 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.311 0.645 . . . . 0.0 110.357 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.094 0 CA-C-O 116.95 -2.028 . . . . 0.0 111.109 -173.935 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.3 mtp . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 111.378 0.14 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.86 -57.57 0.46 Allowed 'General case' 0 C--O 1.235 0.299 0 C-N-CA 130.159 3.384 . . . . 0.0 111.888 179.259 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -39.17 -49.43 4.43 Favored Pre-proline 0 N--CA 1.446 -0.64 0 C-N-CA 127.83 2.452 . . . . 0.0 112.818 179.543 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -53.63 -46.63 32.32 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.815 2.343 . . . . 0.0 113.048 179.306 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 tp -74.2 -45.82 45.9 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.217 178.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -53.05 -46.8 68.69 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 122.702 0.401 . . . . 0.0 110.708 -176.205 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -62.91 -37.24 86.19 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.068 -0.395 . . . . 0.0 111.306 177.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.67 -52.57 29.66 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.733 -0.604 . . . . 0.0 111.088 -178.712 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.6 pt -57.75 -42.8 82.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 173.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.58 -41.73 18.9 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 125.418 1.485 . . . . 0.0 112.628 170.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.15 -58.3 7.68 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.581 1.191 . . . . 0.0 109.661 178.769 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mp -51.51 -47.08 63.43 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 122.963 0.505 . . . . 0.0 110.018 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -60.28 -57.69 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 178.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.68 -50.06 26.33 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 124.814 1.197 . . . . 0.0 111.553 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.1 mt -54.0 -60.17 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 175.212 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.12 -51.73 56.0 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 121.411 0.624 . . . . 0.0 111.226 -176.147 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -73.24 -26.74 61.24 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 117.917 -1.04 . . . . 0.0 112.663 -172.263 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -70.8 -42.79 69.85 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.476 1.489 . . . . 0.0 110.069 171.51 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -64.65 -44.34 90.76 Favored 'General case' 0 C--N 1.34 0.172 0 O-C-N 121.758 -0.589 . . . . 0.0 111.256 177.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.5 t -55.63 -52.14 64.81 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 170.108 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -42.25 -49.59 5.52 Favored Glycine 0 C--N 1.337 0.608 0 C-N-CA 126.369 1.938 . . . . 0.0 112.698 175.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -48.5 -33.32 9.27 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.242 1.017 . . . . 0.0 112.323 178.349 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -120.59 31.42 6.45 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.029 1.331 . . . . 0.0 111.268 178.073 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.44 106.88 0.9 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.624 -0.991 . . . . 0.0 110.624 -178.016 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.09 123.77 17.71 Favored 'General case' 0 CA--C 1.529 0.147 0 O-C-N 122.416 -0.461 . . . . 0.0 111.822 -175.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -141.29 -175.3 4.29 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 126.071 1.748 . . . . 0.0 107.061 172.395 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -87.29 22.8 2.02 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.492 -0.755 . . . . 0.0 110.651 170.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.2 p -145.5 144.39 30.53 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 126.408 1.883 . . . . 0.0 107.846 -172.64 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 pp -143.09 150.35 39.39 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.108 0.413 . . . . 0.0 110.653 168.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.0 m -78.12 156.38 29.98 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -167.792 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -42.88 -54.89 3.96 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 126.531 1.933 . . . . 0.0 112.517 -178.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -70.84 -32.14 69.08 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.741 -0.599 . . . . 0.0 110.914 -178.164 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -64.8 -40.14 94.74 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.436 -0.79 . . . . 0.0 109.158 176.067 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -57.24 -50.59 72.4 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 170.358 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -54.12 -42.55 69.6 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 120.918 -1.114 . . . . 0.0 111.382 176.69 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -58.11 -50.1 74.65 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tt -49.47 -55.5 13.0 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 124.512 1.125 . . . . 0.0 110.178 176.61 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.16 -56.49 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -177.398 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -56.24 -34.14 66.06 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 118.998 -0.525 . . . . 0.0 111.576 -174.408 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -78.09 -59.52 2.75 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 118.565 0.62 . . . . 0.0 110.745 176.355 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -73.72 -49.51 25.33 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 123.19 0.596 . . . . 0.0 111.655 -168.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -99.0 73.62 1.95 Allowed 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 176.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.76 75.9 0.11 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.899 1.28 . . . . 0.0 112.748 -169.563 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -19.42 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -179.188 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.52 -69.19 1.76 Allowed Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.393 0.997 . . . . 0.0 113.109 169.084 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.4 m -71.25 87.94 0.83 Allowed 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -179.202 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -55.91 -14.74 2.66 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.53 1.132 . . . . 0.0 114.022 -173.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.3 mt -53.73 -24.75 15.85 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.922 0.783 . . . . 0.0 111.434 169.007 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -68.14 -3.96 12.17 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.703 0.801 . . . . 0.0 112.811 173.657 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -43.93 -44.15 6.93 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 119.828 1.194 . . . . 0.0 112.715 177.792 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.31 -48.69 55.1 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.02 0.928 . . . . 0.0 111.496 173.137 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -60.41 -47.61 85.33 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 176.407 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.3 mm -56.3 -44.45 79.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.644 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.2 m -71.95 -34.42 50.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 120.18 1.355 . . . . 0.0 112.687 179.566 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.29 -51.51 69.66 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.551 1.069 . . . . 0.0 109.71 171.709 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 tt -57.68 -43.4 85.04 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.676 0.791 . . . . 0.0 110.927 176.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 45.7 ttp -57.11 -47.69 80.46 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 123.62 0.768 . . . . 0.0 108.957 175.64 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -55.08 -49.11 72.49 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 118.294 0.497 . . . . 0.0 109.87 175.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -54.41 -47.25 72.98 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 177.537 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.1 -61.9 2.27 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 122.992 0.517 . . . . 0.0 110.665 174.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -65.91 -12.43 54.63 Favored 'General case' 0 C--O 1.228 -0.072 0 C-N-CA 124.511 1.125 . . . . 0.0 113.628 -174.383 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -48.62 -28.22 3.34 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.859 0.754 . . . . 0.0 110.083 168.272 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -38.69 -53.49 1.64 Allowed 'General case' 0 C--N 1.342 0.271 0 C-N-CA 124.964 1.306 . . . . 0.0 112.468 167.749 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 pttp 179.11 153.53 0.41 Allowed 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 127.155 2.182 . . . . 0.0 109.055 178.27 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -53.0 142.86 18.61 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.404 0.682 . . . . 0.0 111.249 -177.399 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 72.41 -58.2 0.6 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.375 1.87 . . . . 0.0 113.357 170.165 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -108.13 118.8 37.7 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.752 1.221 . . . . 0.0 112.053 -169.657 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.0 t -79.79 123.75 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 168.22 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -86.57 146.52 26.32 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.026 0.53 . . . . 0.0 110.827 178.219 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -40.64 -54.63 2.54 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.057 1.743 . . . . 0.0 113.524 177.572 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -58.31 -46.69 85.68 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.75 -0.594 . . . . 0.0 110.089 -175.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -70.01 -35.23 74.21 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -176.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -53.54 -55.27 27.01 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 119.266 -0.397 . . . . 0.0 110.287 169.272 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 21.0 mm -57.69 -51.34 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 118.998 0.817 . . . . 0.0 110.28 178.785 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.8 m -49.3 -51.8 31.64 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.515 0.726 . . . . 0.0 110.205 179.33 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -63.77 -42.38 97.81 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 123.127 0.571 . . . . 0.0 110.786 -178.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.0 mt -56.19 -37.04 69.06 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.236 0.926 . . . . 0.0 110.516 173.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.22 -51.49 53.76 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.611 -0.595 . . . . 0.0 111.611 169.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.3 84.87 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.223 -0.575 . . . . 0.0 110.664 177.177 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 tp -56.13 -48.58 75.95 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.361 1.064 . . . . 0.0 109.927 178.55 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.5 -49.72 75.41 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.323 0.649 . . . . 0.0 110.828 176.143 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -55.68 -46.58 77.57 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.047 0.539 . . . . 0.0 110.642 178.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.3 mt -66.32 -45.55 89.35 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 125.144 1.377 . . . . 0.0 110.463 -177.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -51.64 -50.69 59.8 Favored 'General case' 0 C--N 1.34 0.17 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 172.548 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 71.46 -54.85 0.67 Allowed 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 125.871 1.668 . . . . 0.0 114.193 168.005 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -51.45 -36.8 45.7 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.432 1.093 . . . . 0.0 110.411 171.537 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.53 -44.68 62.71 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.42 0.688 . . . . 0.0 111.277 171.477 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.6 mt -67.91 -52.32 37.64 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 174.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -77.03 52.11 0.85 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.95 0.9 . . . . 0.0 110.964 -177.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 117.153 -1.915 . . . . 0.0 109.805 -175.786 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.472 0.672 0 CA-C-O 118.975 -0.536 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.66 -61.18 0.37 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 128.927 2.891 . . . . 0.0 110.747 -175.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -38.42 -58.49 1.54 Allowed Pre-proline 0 N--CA 1.445 -0.678 0 C-N-CA 129.058 2.943 . . . . 0.0 114.054 -179.153 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -55.63 -52.05 8.44 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.201 1.934 . . . . 0.0 112.962 -173.081 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -71.33 -45.26 63.41 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.772 178.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -53.11 -48.09 68.12 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 122.272 0.229 . . . . 0.0 111.312 -176.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -64.52 -37.87 89.06 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 118.111 0.414 . . . . 0.0 110.77 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.4 -54.03 34.63 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 121.779 -0.575 . . . . 0.0 111.419 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 30.1 pt -56.96 -43.41 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 175.099 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.22 -40.94 14.99 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 125.917 1.722 . . . . 0.0 113.095 171.013 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.07 -60.73 3.05 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.55 1.175 . . . . 0.0 109.619 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -49.66 -48.92 49.08 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.78 0.832 . . . . 0.0 109.708 178.244 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 64.5 mt -57.97 -55.57 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 123.715 0.806 . . . . 0.0 110.075 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.21 -54.04 31.41 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -178.256 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.9 mt -51.26 -57.62 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 177.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -53.11 -60.15 3.65 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.459 0.647 . . . . 0.0 111.613 -176.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -26.15 65.56 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 118.74 -0.648 . . . . 0.0 111.596 -169.145 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -58.38 -55.55 33.59 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.31 0.959 . . . . 0.0 109.3 169.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -59.24 -48.97 79.65 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.48 -179.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.8 m -50.59 -50.96 52.54 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.378 0.99 . . . . 0.0 111.526 172.486 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.24 -40.62 60.41 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 124.897 1.237 . . . . 0.0 111.801 179.357 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -48.91 -40.39 29.82 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 117.594 0.697 . . . . 0.0 111.89 176.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -104.69 20.8 18.0 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.625 0.77 . . . . 0.0 111.453 179.618 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.06 25.59 57.04 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.096 0.855 . . . . 0.0 113.075 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -95.43 154.29 17.27 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 175.43 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -97.94 -115.22 0.14 Allowed 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.216 1.006 . . . . 0.0 108.457 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -80.16 39.9 0.46 Allowed 'General case' 0 CA--C 1.536 0.421 0 O-C-N 120.876 -1.14 . . . . 0.0 111.583 -170.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 20.9 m -155.2 155.65 34.26 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.233 1.813 . . . . 0.0 106.568 -177.157 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.0 tt -150.83 134.03 16.12 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.084 0.954 . . . . 0.0 108.519 -168.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.2 t -78.73 175.73 10.17 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 122.198 0.999 . . . . 0.0 113.517 -172.123 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -66.59 -71.65 0.19 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 127.363 2.265 . . . . 0.0 111.753 -168.548 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -64.13 -28.79 70.0 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.489 -0.757 . . . . 0.0 109.788 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.14 -40.79 96.91 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 121.737 -0.602 . . . . 0.0 111.03 174.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -54.9 -48.42 73.07 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-N 119.049 0.84 . . . . 0.0 108.82 170.338 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -56.74 -41.59 77.8 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 119.387 -0.925 . . . . 0.0 111.165 177.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -56.94 -50.4 72.73 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.089 0.556 . . . . 0.0 110.627 174.486 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tt -48.88 -53.52 19.17 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 123.946 0.898 . . . . 0.0 109.26 174.694 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 50.3 mt -60.96 -57.49 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-O 119.127 -0.463 . . . . 0.0 110.35 -178.03 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -55.88 -40.07 72.44 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.979 0.809 . . . . 0.0 111.998 -176.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -80.99 -41.2 23.13 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.725 0.693 . . . . 0.0 112.287 -174.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -81.2 -58.68 2.95 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.36 0.527 . . . . 0.0 110.292 178.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -86.49 73.17 10.16 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -179.071 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 45.7 p -72.28 69.23 0.79 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.329 0.652 . . . . 0.0 110.921 -177.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 23.3 pt -68.53 132.3 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 170.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.96 -32.96 73.83 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 174.629 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.2 p -75.09 63.67 1.3 Allowed 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.967 1.707 . . . . 0.0 111.655 -174.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -56.41 -19.03 13.05 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.597 0.759 . . . . 0.0 111.89 174.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -47.86 -32.99 6.82 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.895 0.878 . . . . 0.0 111.364 169.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -71.1 5.25 2.19 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -45.16 -46.74 12.23 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 119.835 1.198 . . . . 0.0 111.987 -179.067 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.02 -46.83 61.69 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.426 0.69 . . . . 0.0 111.197 175.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -66.0 -43.15 88.6 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.563 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 29.1 mm -57.36 -46.51 85.44 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-O 118.66 -0.686 . . . . 0.0 110.619 176.079 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.251 26.1 m -70.95 -32.74 49.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 119.89 1.223 . . . . 0.0 112.406 -179.093 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -59.32 -52.63 64.8 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.355 0.979 . . . . 0.0 109.481 169.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.81 -44.95 70.63 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.054 0.941 . . . . 0.0 111.153 176.453 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 54.2 ttp -58.66 -50.47 73.73 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 124.395 1.078 . . . . 0.0 108.985 177.014 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -54.0 -47.57 71.32 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.748 0.819 . . . . 0.0 110.155 177.734 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -58.01 -52.18 66.59 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 122.173 -0.329 . . . . 0.0 110.644 177.405 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -55.27 -51.43 66.67 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.18 0.592 . . . . 0.0 111.22 177.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -71.98 -28.98 63.78 Favored 'General case' 0 CA--C 1.529 0.147 0 O-C-N 121.36 -0.837 . . . . 0.0 112.94 -173.555 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.56 -48.55 2.87 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.365 1.066 . . . . 0.0 111.195 -178.273 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -26.02 -51.53 0.04 OUTLIER 'General case' 0 C--N 1.339 0.137 0 C-N-CA 126.845 2.058 . . . . 0.0 114.086 172.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -143.46 58.07 1.38 Allowed 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 174.611 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.256 2.7 p30 54.49 -70.91 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 127.708 2.403 . . . . 0.0 114.801 177.027 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -103.84 -31.08 9.96 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.692 1.597 . . . . 0.0 110.387 178.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -95.77 119.65 34.63 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 123.195 0.598 . . . . 0.0 110.652 -169.08 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 22.5 t -81.26 113.95 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 169.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -77.94 153.45 32.51 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.237 0.926 . . . . 0.0 109.764 175.41 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -50.15 -48.4 53.78 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 176.727 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -58.68 -48.57 80.63 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.553 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -54.89 -48.83 72.51 Favored 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.125 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -52.49 -54.76 28.17 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 119.308 -0.377 . . . . 0.0 110.915 177.591 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 20.2 mm -59.51 -51.18 75.72 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 118.885 0.766 . . . . 0.0 110.623 -179.594 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 32.1 m -52.61 -48.45 66.29 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.751 0.82 . . . . 0.0 110.0 -179.734 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -63.29 -43.01 99.11 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 123.966 0.906 . . . . 0.0 110.287 179.28 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 85.2 mt -58.38 -34.59 70.88 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.477 1.035 . . . . 0.0 110.468 173.589 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.46 -50.57 63.89 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 168.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.3 74.71 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.776 -0.838 . . . . 0.0 111.714 174.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.2 tp -64.23 -45.07 89.79 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.26 1.024 . . . . 0.0 109.479 178.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.23 -43.96 79.13 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.134 0.574 . . . . 0.0 110.253 171.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 41.7 ttm -61.71 -42.22 98.65 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 122.099 -0.376 . . . . 0.0 111.767 175.099 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 70.9 mt -58.35 -43.1 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 175.005 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -74.73 50.93 0.46 Allowed 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.72 -0.613 . . . . 0.0 109.979 169.386 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.54 -32.45 50.65 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 124.255 1.022 . . . . 0.0 112.618 -167.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -50.16 -42.56 51.14 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 122.73 0.412 . . . . 0.0 111.204 176.002 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.07 -33.19 64.79 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.247 0.619 . . . . 0.0 111.146 177.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 16.0 mt -74.29 6.79 3.29 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -179.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -93.97 0.14 55.88 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.691 0.678 . . . . 0.0 109.805 167.365 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 117.043 -1.976 . . . . 0.0 110.817 -175.821 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 ptp . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 121.254 0.549 . . . . 0.0 112.134 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.77 -63.93 0.34 Allowed 'General case' 0 C--O 1.231 0.085 0 C-N-CA 129.827 3.251 . . . . 0.0 111.47 173.652 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 p -36.55 -57.44 1.17 Allowed Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 128.393 2.677 . . . . 0.0 114.906 -169.578 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -59.28 -42.03 53.56 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 121.691 1.594 . . . . 0.0 113.176 -174.09 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.3 tp -81.01 -43.64 19.29 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 118.695 0.68 . . . . 0.0 110.077 176.379 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.06 -42.75 63.39 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.909 0.883 . . . . 0.0 111.21 -177.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -58.0 -43.69 86.76 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 119.338 0.972 . . . . 0.0 110.712 176.291 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.17 -54.99 16.09 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 122.324 -0.235 . . . . 0.0 110.617 -174.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.8 pt -59.81 -41.88 87.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 119.41 -0.916 . . . . 0.0 109.491 177.161 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.97 -41.5 37.21 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 125.198 1.38 . . . . 0.0 112.157 172.048 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -60.26 4.09 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.546 1.139 . . . . 0.0 109.573 -179.882 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -51.42 -47.06 63.11 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.487 0.715 . . . . 0.0 110.118 178.306 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.9 mt -59.47 -52.29 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.394 0.677 . . . . 0.0 110.025 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.19 -53.32 45.63 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 -178.585 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.5 mt -49.4 -55.02 4.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 176.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -57.44 -57.24 13.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.998 -175.401 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -72.78 -28.38 62.56 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 118.811 -0.614 . . . . 0.0 111.468 -169.225 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -61.46 -51.45 68.65 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.926 0.785 . . . . 0.0 109.23 170.129 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -59.13 -38.95 80.87 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 178.376 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.1 m -62.56 -50.55 70.86 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.963 -0.46 . . . . 0.0 109.979 175.525 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.12 -39.42 49.91 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 124.718 1.152 . . . . 0.0 111.79 175.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -51.75 -34.89 41.4 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 117.626 0.713 . . . . 0.0 112.232 177.681 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -109.96 22.09 16.04 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.578 0.751 . . . . 0.0 111.339 176.549 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 54.34 30.08 47.88 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.228 0.918 . . . . 0.0 113.124 -179.374 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -99.85 153.06 19.45 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 175.644 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -89.29 -122.64 0.06 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.281 1.032 . . . . 0.0 108.497 -173.211 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -81.62 41.97 0.66 Allowed 'General case' 0 CA--C 1.536 0.424 0 O-C-N 120.188 -1.57 . . . . 0.0 111.256 -177.358 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.2 m -153.34 143.21 22.06 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.399 1.48 . . . . 0.0 107.642 -177.427 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.6 mt -112.49 157.56 20.96 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 125.758 1.623 . . . . 0.0 108.867 174.61 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.2 p -86.33 156.56 20.17 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 166.127 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -40.33 73.86 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.043 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -38.18 64.82 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.328 -0.858 . . . . 0.0 110.468 179.368 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -61.62 -43.56 98.64 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.109 0.868 . . . . 0.0 109.511 175.189 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.5 -49.22 65.19 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 169.331 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -53.69 -43.55 69.01 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.892 -1.13 . . . . 0.0 111.199 178.376 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -46.94 88.71 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.576 0.35 . . . . 0.0 110.895 175.659 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 tt -48.54 -52.96 20.11 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 123.604 0.762 . . . . 0.0 109.5 175.107 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.5 mt -57.4 -52.77 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 176.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.72 -39.53 68.32 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.292 0.496 . . . . 0.0 111.395 -174.787 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.11 -53.39 8.96 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 178.225 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -75.32 -64.31 1.09 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 122.243 1.021 . . . . 0.0 109.239 -174.33 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.3 mt -87.06 75.18 9.52 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -174.175 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.4 p -68.57 74.47 0.26 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.369 1.068 . . . . 0.0 110.548 179.231 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 pt -54.72 158.2 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 126.108 1.763 . . . . 0.0 112.325 176.176 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.24 95.9 0.01 OUTLIER Glycine 0 C--N 1.34 0.787 0 C-N-CA 126.147 1.832 . . . . 0.0 112.711 -170.181 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m 45.52 32.74 1.18 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.356 1.462 . . . . 0.0 112.224 -176.045 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.3 mttp 49.88 29.14 3.16 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.932 1.293 . . . . 0.0 113.741 -176.125 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.4 mt -75.16 -30.75 60.82 Favored 'General case' 0 CA--C 1.528 0.13 0 O-C-N 121.677 -0.64 . . . . 0.0 110.491 175.455 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -76.34 33.93 0.13 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.421 1.088 . . . . 0.0 112.26 -171.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.54 -42.91 91.4 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 121.31 -0.869 . . . . 0.0 112.359 -168.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.08 -44.54 71.27 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.94 0.4 . . . . 0.0 110.139 176.377 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -62.22 -46.27 89.61 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.102 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.7 mm -51.95 -52.37 23.56 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.624 173.59 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.295 15.2 m -70.47 -32.37 49.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 120.241 1.382 . . . . 0.0 112.646 -173.855 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -56.82 -50.56 72.01 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.205 0.911 . . . . 0.0 109.074 169.093 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tt -60.36 -40.66 91.56 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.449 0.699 . . . . 0.0 112.069 178.253 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -36.62 77.26 Favored 'General case' 0 CA--C 1.523 -0.074 0 O-C-N 121.133 -0.979 . . . . 0.0 109.27 -178.51 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.93 -54.27 48.85 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 169.373 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -52.52 -46.87 66.88 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.013 0.37 . . . . 0.0 111.529 -178.188 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 mt -55.75 -66.16 0.47 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.042 0.537 . . . . 0.0 109.957 171.661 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 p30 -59.72 -22.59 62.25 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -171.521 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.7 ttt85 -52.47 -28.86 21.95 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 125.328 1.451 . . . . 0.0 111.511 175.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -49.13 -29.74 5.72 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 172.543 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -128.39 -63.43 0.99 Allowed 'General case' 0 C--N 1.34 0.175 0 C-N-CA 124.358 1.063 . . . . 0.0 110.44 174.22 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 173.46 -54.2 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 127.45 2.3 . . . . 0.0 109.725 179.229 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -143.23 6.6 1.53 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.108 1.363 . . . . 0.0 111.542 -169.065 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -136.16 154.63 50.91 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.755 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.1 t -117.67 114.33 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 124.635 1.174 . . . . 0.0 107.993 177.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -78.74 146.85 33.66 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 120.083 -0.647 . . . . 0.0 109.551 175.384 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -42.01 -55.87 3.01 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -60.54 -42.59 96.82 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.64 -0.662 . . . . 0.0 109.637 -174.65 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -69.8 -35.25 74.68 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.704 0.801 . . . . 0.0 110.077 -177.235 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.09 -53.3 57.63 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.196 0.598 . . . . 0.0 109.66 169.593 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.5 mt -62.94 -43.07 98.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 118.896 0.771 . . . . 0.0 111.4 179.083 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.0 m -49.42 -51.49 35.02 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.331 0.586 . . . . 0.0 109.678 173.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -61.25 -43.65 98.53 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.917 -0.563 . . . . 0.0 111.172 177.238 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.3 mt -56.04 -32.3 63.92 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.877 1.217 . . . . 0.0 110.856 175.353 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.11 -48.24 86.87 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 121.593 -0.692 . . . . 0.0 111.49 169.114 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.22 86.27 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.767 -0.843 . . . . 0.0 110.986 173.07 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.22 -44.13 97.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 121.555 -0.715 . . . . 0.0 109.973 179.172 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.09 -45.86 83.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.329 0.652 . . . . 0.0 110.395 172.461 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.5 ttt -60.72 -36.45 78.87 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.748 -0.595 . . . . 0.0 112.19 175.585 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.2 mt -69.91 -42.62 79.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.084 0.954 . . . . 0.0 110.498 176.781 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -52.3 -50.91 61.25 Favored 'General case' 0 C--N 1.342 0.246 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 170.55 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 71.61 -59.47 0.55 Allowed 'General case' 0 C--O 1.23 0.068 0 C-N-CA 126.637 1.975 . . . . 0.0 113.524 168.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -52.59 -40.09 62.28 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.329 1.052 . . . . 0.0 109.943 177.205 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.73 -42.07 64.55 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.452 0.701 . . . . 0.0 111.629 173.092 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.1 mt -70.14 -46.06 65.52 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -58.04 -39.56 78.74 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.557 0.343 . . . . 0.0 111.112 -179.274 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.158 0 CA-C-O 116.952 -2.026 . . . . 0.0 110.122 174.829 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 121.719 0.771 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.87 -53.78 5.35 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 121.771 -0.58 . . . . 0.0 110.531 -170.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.95 -48.43 30.12 Favored Pre-proline 0 N--CA 1.451 -0.38 0 C-N-CA 125.369 1.468 . . . . 0.0 113.227 -175.034 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -53.21 -36.8 78.98 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.071 2.514 . . . . 0.0 113.988 176.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 62.9 tp -80.33 -48.18 13.37 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 119.146 0.885 . . . . 0.0 109.808 174.266 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -52.55 -44.02 65.56 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 122.253 0.221 . . . . 0.0 110.89 -176.217 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -59.79 -39.05 83.63 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 117.928 0.331 . . . . 0.0 111.329 175.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.06 -54.53 17.65 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.364 0.529 . . . . 0.0 110.009 -176.365 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 25.0 pt -58.13 -43.09 84.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.68 -44.08 22.87 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 125.03 1.3 . . . . 0.0 112.482 170.221 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.14 -59.17 5.7 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.646 1.178 . . . . 0.0 109.448 -179.727 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -52.58 -48.03 66.48 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.287 0.635 . . . . 0.0 110.456 178.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.1 mt -61.92 -50.17 81.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 C-N-CA 123.106 0.562 . . . . 0.0 110.103 -176.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.96 -47.91 88.88 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 125.045 1.307 . . . . 0.0 110.023 -177.71 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 mt -53.16 -55.81 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 174.539 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -52.64 -59.26 4.69 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.167 -176.044 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -69.24 -27.98 65.94 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -172.319 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -59.22 -54.8 42.72 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 170.003 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -62.22 -42.85 99.68 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 119.568 -0.253 . . . . 0.0 111.676 -178.671 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -57.91 -50.7 72.46 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.844 0.747 . . . . 0.0 110.401 173.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.74 -42.01 51.79 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.927 1.251 . . . . 0.0 111.322 178.522 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -49.5 -38.83 31.79 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 117.463 0.631 . . . . 0.0 112.054 176.551 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -107.77 25.34 11.65 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.826 0.85 . . . . 0.0 111.274 178.212 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 54.81 28.89 48.7 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.426 1.013 . . . . 0.0 113.406 177.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -101.28 157.13 17.01 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.666 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -97.82 -116.25 0.14 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.509 1.124 . . . . 0.0 109.044 -178.059 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -79.6 37.78 0.36 Allowed 'General case' 0 CA--C 1.538 0.49 0 O-C-N 120.946 -1.096 . . . . 0.0 111.772 -174.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 98.7 m -148.9 151.37 34.54 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.762 1.225 . . . . 0.0 108.423 -176.434 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 76.5 mt -128.19 148.6 50.62 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 126.683 1.993 . . . . 0.0 108.05 175.204 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.3 p -84.44 162.98 19.74 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.643 0.656 . . . . 0.0 110.556 168.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -45.45 -54.58 7.19 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.41 1.484 . . . . 0.0 113.189 176.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -77.4 -33.48 55.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.768 -172.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -60.12 -42.36 94.59 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 171.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -59.34 -49.98 75.72 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 174.178 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -51.44 -49.32 61.91 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.172 -0.955 . . . . 0.0 110.175 176.418 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -55.35 -47.77 75.23 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.644 0.777 . . . . 0.0 111.146 179.243 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 tt -48.21 -53.97 15.14 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 124.239 1.016 . . . . 0.0 108.863 173.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 66.2 mt -65.0 -36.54 78.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 O-C-N 121.804 -0.56 . . . . 0.0 112.082 -178.594 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -61.55 -43.26 99.18 Favored 'General case' 0 N--CA 1.456 -0.13 0 O-C-N 121.561 -0.712 . . . . 0.0 109.746 178.264 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -54.13 18.58 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.294 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.9 -57.21 10.49 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.134 0.574 . . . . 0.0 112.151 -172.675 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 27.5 mt -94.93 -42.89 8.43 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 122.61 0.364 . . . . 0.0 110.584 -171.48 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.6 m 58.82 51.64 7.33 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.35 0.595 . . . . 0.0 110.608 177.025 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -57.45 142.77 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -174.56 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -32.76 95.93 0.01 OUTLIER Glycine 0 CA--C 1.527 0.844 0 C-N-CA 127.215 2.34 . . . . 0.0 114.225 -174.093 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.5 m 43.7 34.97 0.92 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.735 1.614 . . . . 0.0 113.279 179.417 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? 56.49 18.45 3.53 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.676 1.19 . . . . 0.0 113.22 -179.493 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.09 -34.64 72.22 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 120.842 -1.161 . . . . 0.0 110.209 179.287 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -80.13 14.64 1.8 Allowed 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 118.411 -0.805 . . . . 0.0 112.678 179.165 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -49.45 -41.31 39.81 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 120.167 1.349 . . . . 0.0 112.472 -175.342 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.33 -47.54 65.97 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.433 0.635 . . . . 0.0 111.092 174.384 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -65.71 -42.01 91.61 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.732 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 47.6 mm -54.48 -49.74 63.43 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 CA-C-O 118.788 -0.625 . . . . 0.0 110.31 174.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.275 16.4 m -67.87 -35.54 72.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 119.534 1.061 . . . . 0.0 112.443 -178.533 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -59.09 -55.22 37.82 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.552 1.069 . . . . 0.0 110.217 171.511 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 tt -51.79 -46.66 64.3 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.066 0.946 . . . . 0.0 110.912 176.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -63.35 -41.52 98.85 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.31 1.044 . . . . 0.0 109.726 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -58.85 -47.96 83.03 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 174.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -57.62 -48.7 78.71 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.826 -0.546 . . . . 0.0 110.582 179.057 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.1 mt -56.34 -53.07 61.62 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.036 0.535 . . . . 0.0 111.335 174.636 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -76.1 -20.81 57.34 Favored 'General case' 0 CA--C 1.527 0.061 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -169.171 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -43.32 -43.45 5.01 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.198 0.999 . . . . 0.0 109.602 175.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -22.33 -57.57 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 127.324 2.25 . . . . 0.0 113.735 168.245 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -138.54 60.99 1.59 Allowed 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 172.25 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.264 3.7 p30 56.37 -63.94 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 127.713 2.405 . . . . 0.0 115.518 175.088 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -123.63 1.89 8.88 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.129 1.772 . . . . 0.0 111.498 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -123.3 138.42 54.63 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.991 1.317 . . . . 0.0 110.448 179.376 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 4.4 t -96.33 139.85 18.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 125.413 1.485 . . . . 0.0 107.489 171.762 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -111.83 147.06 36.54 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.446 1.021 . . . . 0.0 109.572 176.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -41.66 -61.21 1.13 Allowed 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -169.48 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -61.66 -37.52 84.36 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.238 -0.914 . . . . 0.0 110.593 -172.63 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -67.51 -39.13 85.11 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.753 0.821 . . . . 0.0 110.156 177.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -54.48 -51.22 65.74 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 119.297 -0.382 . . . . 0.0 110.367 169.774 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 30.1 mm -58.09 -51.1 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 118.684 0.675 . . . . 0.0 110.412 178.149 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 46.6 m -50.15 -50.6 48.36 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.674 0.79 . . . . 0.0 110.108 178.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -62.24 -43.87 97.84 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.57 179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 72.2 mt -57.97 -37.45 74.22 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.446 1.021 . . . . 0.0 110.535 174.206 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.7 -54.69 29.22 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 169.031 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.16 -42.37 76.9 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.918 -0.754 . . . . 0.0 111.74 176.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.79 -46.71 89.42 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.412 1.085 . . . . 0.0 109.617 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.65 -42.4 88.28 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 122.966 0.506 . . . . 0.0 110.387 174.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 22.3 ttt -62.55 -42.75 99.73 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 122.157 -0.339 . . . . 0.0 111.543 176.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.07 -40.4 83.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 123.8 0.84 . . . . 0.0 109.609 174.366 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -71.97 55.78 0.3 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.36 0.664 . . . . 0.0 110.266 169.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.29 -35.27 69.59 Favored 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 121.13 -0.981 . . . . 0.0 112.028 -169.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -48.72 -39.78 25.98 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.685 0.794 . . . . 0.0 111.647 173.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.28 -51.96 60.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 173.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mt -53.46 -39.09 64.2 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 118.926 -0.559 . . . . 0.0 112.237 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -50.48 -37.46 38.7 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.772 0.714 . . . . 0.0 111.247 176.455 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.132 0 CA-C-O 117.23 -1.872 . . . . 0.0 110.36 174.875 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 114.962 1.468 . . . . 0.0 114.962 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -53.97 -45.49 40.65 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.122 2.548 . . . . 0.0 112.777 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.9 tp -72.82 -47.32 47.39 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.246 177.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -51.74 -48.88 63.46 Favored 'General case' 0 C--N 1.337 0.033 0 C-N-CA 122.918 0.487 . . . . 0.0 110.623 -175.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -62.97 -38.63 91.88 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.293 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.18 -52.52 54.4 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.972 -0.455 . . . . 0.0 111.117 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.9 pt -57.59 -46.6 86.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 174.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.3 -45.49 5.26 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 125.014 1.292 . . . . 0.0 112.604 171.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.42 -60.95 2.78 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.161 0.985 . . . . 0.0 110.222 178.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -52.32 -47.39 66.01 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.529 0.732 . . . . 0.0 110.351 178.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.24 -47.76 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.95 -53.27 47.19 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 124.868 1.223 . . . . 0.0 110.169 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.8 mt -49.55 -48.18 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 123.192 0.597 . . . . 0.0 110.213 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -60.86 -60.83 3.18 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.826 0.346 . . . . 0.0 110.783 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -67.08 -28.0 67.82 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -168.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -52.97 -46.43 68.23 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 169.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -80.92 -48.16 12.7 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 118.111 -0.947 . . . . 0.0 111.973 -178.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.9 p -55.54 -41.71 73.59 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 119.992 1.269 . . . . 0.0 110.112 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.164 0 C-N-CA 125.408 1.48 . . . . 0.0 114.157 171.796 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 . . . . . 0 CA--C 1.537 0.451 0 CA-C-O 121.435 0.636 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.0 m -148.32 145.56 28.18 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.377 2.271 . . . . 0.0 105.302 -174.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 tt -148.67 127.45 12.57 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -168.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.9 m -75.81 158.32 32.3 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 119.136 0.88 . . . . 0.0 111.486 -169.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.6 pttt -63.25 -50.52 69.88 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -169.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -64.14 -34.46 78.11 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.872 -1.143 . . . . 0.0 110.267 176.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.3 -40.27 96.89 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.124 0.57 . . . . 0.0 110.151 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.527 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.8 tm? -57.72 -49.03 77.89 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 170.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -55.79 -43.02 76.42 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 119.187 -1.005 . . . . 0.0 110.389 176.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -60.75 -36.78 79.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.968 0.907 . . . . 0.0 111.816 176.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tt -58.73 -57.01 14.9 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 123.889 0.876 . . . . 0.0 109.361 169.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.8 mt -57.18 -53.47 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-O 119.377 -0.345 . . . . 0.0 110.579 -175.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -52.64 -39.47 61.79 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.969 -0.539 . . . . 0.0 112.357 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -80.72 -56.54 4.08 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.673 0.67 . . . . 0.0 110.917 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -73.99 -48.52 29.74 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.569 0.748 . . . . 0.0 111.22 -168.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 177.166 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 CA--C 1.53 0.175 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.62 -46.25 66.97 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.412 0.625 . . . . 0.0 111.116 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -64.19 -43.36 95.31 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.5 mm -57.41 -46.02 85.6 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 CA-C-O 118.423 -0.798 . . . . 0.0 110.988 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.253 14.5 m -70.48 -32.32 49.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 120.232 1.378 . . . . 0.0 112.408 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -61.03 -48.04 83.62 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.529 1.059 . . . . 0.0 109.905 169.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.82 -44.07 81.64 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.323 -0.861 . . . . 0.0 111.038 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.9 ttp -57.38 -51.72 68.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.474 1.11 . . . . 0.0 108.775 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -50.29 -53.44 28.55 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 123.313 0.645 . . . . 0.0 109.798 173.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.89 -40.85 77.01 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.943 0.792 . . . . 0.0 113.064 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.49 -58.66 6.31 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.284 0.493 . . . . 0.0 110.204 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -67.87 -27.37 66.62 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.293 -0.88 . . . . 0.0 112.821 -173.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -49.73 -26.76 4.09 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 126.036 1.735 . . . . 0.0 112.404 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -43.25 -37.37 2.14 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 169.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -148.44 22.11 1.05 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 168.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.301 0.7 OUTLIER 63.36 -43.17 0.22 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 129.142 2.977 . . . . 0.0 116.112 179.093 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -74.24 -52.38 12.53 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.326 -0.859 . . . . 0.0 111.45 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -138.14 156.64 47.54 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.459 0.704 . . . . 0.0 111.436 -169.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 t -80.99 142.79 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 169.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -113.54 142.58 45.78 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 173.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -45.06 -55.84 5.24 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.418 1.087 . . . . 0.0 113.782 -170.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -54.66 -43.22 72.19 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.611 -0.68 . . . . 0.0 110.926 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -69.49 -38.43 77.66 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.799 0.84 . . . . 0.0 109.899 -176.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -54.02 -52.59 60.34 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.257 0.623 . . . . 0.0 109.969 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.1 mm -59.09 -53.65 45.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 118.422 0.556 . . . . 0.0 110.199 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.0 m -51.62 -44.1 62.8 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 121.531 -0.731 . . . . 0.0 111.973 177.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -65.05 -45.23 86.24 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 122.936 0.494 . . . . 0.0 110.173 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.4 mt -56.51 -34.47 67.02 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.865 0.757 . . . . 0.0 110.314 172.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.13 -49.94 64.75 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 168.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.51 -46.03 84.26 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.818 0.809 . . . . 0.0 111.29 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 tp -57.91 -46.5 84.89 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.707 0.803 . . . . 0.0 109.891 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.416 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -58.98 -48.05 82.95 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.561 0.744 . . . . 0.0 110.467 175.363 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -55.47 -46.19 76.87 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 117.932 0.333 . . . . 0.0 110.776 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 77.9 mt -56.6 -44.91 82.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 174.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -70.82 38.53 0.05 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.635 0.774 . . . . 0.0 112.841 170.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -34.91 -41.72 0.14 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 128.58 2.752 . . . . 0.0 113.804 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -44.33 -48.91 9.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.662 0.785 . . . . 0.0 111.264 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.53 -39.44 76.6 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.797 0.839 . . . . 0.0 111.391 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.452 -0.335 0 C-N-CA 123.596 0.758 . . . . 0.0 109.398 -177.353 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.463 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.81 -40.65 82.68 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.606 2.204 . . . . 0.0 112.607 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 52.0 tp -79.68 -44.11 21.48 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -49.48 -49.14 46.84 Favored 'General case' 0 C--O 1.227 -0.096 0 C-N-CA 123.853 0.861 . . . . 0.0 110.641 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -59.88 -39.54 85.64 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.433 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.71 -54.11 18.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.817 -0.552 . . . . 0.0 111.253 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.5 pt -58.07 -42.65 83.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.87 -45.14 18.87 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 125.613 1.578 . . . . 0.0 111.995 171.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -60.73 3.28 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.009 0.905 . . . . 0.0 110.307 178.288 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -51.05 -47.18 61.8 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.504 0.722 . . . . 0.0 110.212 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.416 HD11 ' HB1' ' A' ' 81' ' ' ALA . 61.4 mt -60.42 -47.95 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.626 0.77 . . . . 0.0 110.065 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.25 -54.3 38.41 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 124.883 1.23 . . . . 0.0 110.124 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.2 mt -50.61 -49.83 24.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -57.75 -59.02 5.85 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.769 -0.196 . . . . 0.0 111.13 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -69.62 -31.88 70.27 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 122.043 -0.411 . . . . 0.0 111.691 -170.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -51.52 -50.24 60.36 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 169.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -65.6 -51.56 58.74 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 117.399 -1.286 . . . . 0.0 112.428 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.6 m -45.83 -43.59 13.54 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 120.505 1.502 . . . . 0.0 110.864 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.697 0 C-N-CA 125.503 1.525 . . . . 0.0 114.186 170.005 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 . . . . . 0 C--O 1.235 0.305 0 CA-C-O 122.476 1.131 . . . . 0.0 108.99 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.33 160.06 40.71 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 126.87 2.068 . . . . 0.0 107.379 -173.25 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 70.5 mt -133.48 131.36 39.77 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 170.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 49.0 m -77.93 154.68 31.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 119.047 0.839 . . . . 0.0 109.539 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -52.47 -44.66 65.71 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -168.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -80.53 -29.7 37.17 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.231 -0.918 . . . . 0.0 111.786 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -59.63 -42.7 93.29 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 173.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.518 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.1 tm? -55.09 -50.46 69.11 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.268 0.627 . . . . 0.0 110.228 170.143 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -52.3 -47.42 65.94 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.574 1.079 . . . . 0.0 109.948 175.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -45.13 81.37 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.52 0.6 . . . . 0.0 110.657 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 tt -49.35 -55.91 11.32 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 122.88 0.472 . . . . 0.0 110.194 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.415 ' CD1' HD21 ' B' ' 56' ' ' LEU . 47.2 mt -62.19 -50.68 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.305 -175.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -53.57 -42.08 67.19 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.488 0.585 . . . . 0.0 110.846 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -53.74 13.07 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -73.45 -62.87 1.33 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -175.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 -179.705 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 C--O 1.224 -0.249 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.54 -50.06 60.77 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.264 0.554 . . . . 0.0 111.359 171.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.91 -43.69 98.12 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 36.5 mm -55.68 -43.9 75.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 118.595 -0.717 . . . . 0.0 110.823 177.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.264 13.1 m -69.2 -37.13 75.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-N 119.997 1.271 . . . . 0.0 112.486 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -58.66 -51.67 68.93 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.3 0.954 . . . . 0.0 109.777 172.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.415 HD21 ' CD1' ' B' ' 38' ' ' ILE . 2.5 tt -54.33 -45.67 72.73 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.789 0.836 . . . . 0.0 111.047 176.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -61.92 -44.64 96.36 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.094 0.958 . . . . 0.0 109.834 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -54.29 -53.01 59.52 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 172.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -56.94 -39.2 74.09 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.3 mt -63.54 -56.18 17.99 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.26 0.624 . . . . 0.0 111.192 173.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.63 -26.25 59.76 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.428 -0.795 . . . . 0.0 112.854 -171.274 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 . . . . . 0 C--O 1.233 0.203 0 C-N-CA 123.254 0.622 . . . . 0.0 110.554 -174.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -94.97 117.32 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 C-N-CA 125.753 1.621 . . . . 0.0 107.467 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -78.81 148.58 32.85 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 170.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -39.69 -54.18 2.09 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -66.11 -32.84 74.53 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 120.821 -1.175 . . . . 0.0 111.289 -176.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -69.44 -40.22 77.34 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -55.24 -53.95 49.57 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.111 0.564 . . . . 0.0 110.15 170.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 31.9 mm -55.83 -54.33 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 118.229 0.468 . . . . 0.0 110.141 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 72.7 m -49.07 -51.82 29.22 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.9 0.88 . . . . 0.0 110.804 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -62.7 -42.0 99.42 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 119.198 -0.43 . . . . 0.0 110.863 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 70.6 mt -57.49 -35.04 69.7 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.504 1.047 . . . . 0.0 110.061 172.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.87 -51.49 57.84 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 168.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.04 -42.96 73.31 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.689 -0.889 . . . . 0.0 111.047 175.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.33 -44.77 96.64 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.438 1.095 . . . . 0.0 109.745 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.78 -45.18 86.35 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.165 0.586 . . . . 0.0 110.759 173.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 16.9 tpt -60.69 -43.23 98.01 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.093 -0.379 . . . . 0.0 111.293 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 71.3 mt -58.87 -44.08 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -73.32 54.46 0.43 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.379 0.672 . . . . 0.0 109.983 169.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -56.56 -32.6 65.33 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.336 -0.852 . . . . 0.0 112.698 -169.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -51.93 -39.82 59.77 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.067 0.547 . . . . 0.0 111.74 173.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.65 -39.91 95.37 Favored 'General case' 0 N--CA 1.458 -0.067 0 C-N-CA 123.118 0.567 . . . . 0.0 110.44 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.3 mt -64.89 -52.94 53.82 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -68.3 -37.19 80.39 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 117.302 -1.832 . . . . 0.0 110.463 177.703 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.445 -0.706 0 CA-C-O 117.545 -1.217 . . . . 0.0 113.036 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.84 -53.4 5.6 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.458 2.105 . . . . 0.0 112.826 -175.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -70.12 -44.94 67.92 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.002 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -53.59 -47.8 69.81 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 122.925 0.49 . . . . 0.0 111.092 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -62.68 -38.92 92.26 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.359 0.527 . . . . 0.0 110.839 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.07 -54.26 27.99 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 121.919 -0.488 . . . . 0.0 111.303 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.3 pt -57.9 -41.98 81.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-N 118.796 0.725 . . . . 0.0 109.104 175.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.0 -44.07 13.48 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 125.389 1.471 . . . . 0.0 112.444 169.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.94 -60.41 3.9 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.295 1.047 . . . . 0.0 109.901 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -52.11 -47.34 65.33 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.496 0.718 . . . . 0.0 110.245 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.441 HD11 ' HB1' ' B' ' 81' ' ' ALA . 59.4 mt -60.22 -54.53 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.187 0.995 . . . . 0.0 109.585 -178.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.29 -55.26 22.79 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 125.077 1.323 . . . . 0.0 109.989 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.8 mt -50.8 -54.72 8.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 117.512 0.656 . . . . 0.0 109.53 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -57.49 -58.37 8.58 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.79 -174.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.72 -31.55 68.44 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 122.109 -0.369 . . . . 0.0 110.942 -171.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -58.98 -50.53 73.72 Favored 'General case' 0 CA--C 1.527 0.061 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 173.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.409 ' CE2' ' HA ' ' A' ' 37' ' ' LEU . 3.0 m-85 -60.36 -46.21 90.75 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.406 175.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.1 t -54.95 -34.23 63.05 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.15 0.432 . . . . 0.0 110.66 175.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 C-N-CA 124.88 1.229 . . . . 0.0 112.921 171.692 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 111.709 0.262 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.4 p -147.6 138.89 23.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.909 1.684 . . . . 0.0 108.72 -177.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.2 mt -116.43 140.27 49.54 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 168.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.9 t -78.19 154.39 31.16 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 120.339 1.427 . . . . 0.0 108.519 169.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -53.18 -41.5 65.3 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.569 0.748 . . . . 0.0 112.959 -172.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -70.97 -32.33 69.15 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.986 -1.072 . . . . 0.0 111.147 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -63.61 -43.76 95.96 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.563 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.5 tm? -54.82 -49.2 71.6 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.762 0.425 . . . . 0.0 110.084 171.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -52.62 -50.47 63.04 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.014 -1.054 . . . . 0.0 110.341 176.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -56.5 -39.78 73.88 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.059 0.944 . . . . 0.0 111.745 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.409 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 5.3 tt -57.38 -56.21 24.85 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 123.906 0.882 . . . . 0.0 109.854 171.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.9 mt -56.87 -43.37 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 119.115 -0.469 . . . . 0.0 110.785 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -53.97 -48.62 70.14 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 117.981 0.355 . . . . 0.0 110.318 -175.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -75.57 -59.07 2.91 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.221 0.534 . . . . 0.0 110.173 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -67.38 -37.69 83.57 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -166.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 mp . . . . . 0 CA--C 1.537 0.446 0 CA-C-N 118.31 0.505 . . . . 0.0 110.836 172.762 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 C--O 1.222 -0.377 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.39 -49.47 54.36 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.482 0.583 . . . . 0.0 111.529 174.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.79 -43.21 96.99 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.3 mm -56.12 -45.65 80.75 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.806 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.256 17.1 m -72.24 -32.41 42.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 119.629 1.104 . . . . 0.0 112.259 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -58.56 -53.99 52.12 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.471 1.032 . . . . 0.0 109.128 169.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tt -54.73 -43.52 72.72 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.246 0.618 . . . . 0.0 111.142 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.1 ttp -59.28 -47.25 86.09 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 124.175 0.99 . . . . 0.0 109.148 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.07 -48.36 76.21 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -58.04 -47.13 84.03 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.349 0.26 . . . . 0.0 111.33 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mt -56.87 -64.58 0.83 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.61 0.719 . . . . 0.0 109.991 172.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -62.91 -19.3 64.07 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.637 1.175 . . . . 0.0 113.28 -170.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -43.28 -40.9 3.71 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 124.501 1.121 . . . . 0.0 111.695 174.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.469 HD21 ' HA ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -44.39 -40.18 5.22 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 175.542 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -161.41 62.22 0.27 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.689 1.196 . . . . 0.0 109.391 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.292 49.3 p-10 26.26 -72.9 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 129.466 3.107 . . . . 0.0 118.167 177.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -80.18 -11.72 59.72 Favored 'General case' 0 C--O 1.238 0.463 0 O-C-N 121.084 -1.01 . . . . 0.0 112.776 -176.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -149.26 166.72 28.09 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.905 0.859 . . . . 0.0 113.144 -169.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.469 ' HA ' HD21 ' A' ' 63' ' ' ASN . 11.4 t -119.9 115.66 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 128.003 2.521 . . . . 0.0 106.895 176.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -78.76 147.33 33.4 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 172.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -43.9 -54.59 5.19 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.512 1.125 . . . . 0.0 113.638 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -53.82 -42.0 67.94 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.789 -0.569 . . . . 0.0 110.531 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -72.56 -39.71 67.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.379 1.072 . . . . 0.0 109.81 -175.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -53.11 -52.76 57.61 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.185 0.594 . . . . 0.0 109.819 169.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.1 mm -58.06 -50.72 77.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-N 118.25 0.477 . . . . 0.0 110.112 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.9 m -49.95 -47.98 52.29 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.467 0.707 . . . . 0.0 110.991 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -66.62 -44.09 83.01 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 119.054 -0.498 . . . . 0.0 110.767 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.6 mt -55.6 -36.53 67.03 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.48 1.036 . . . . 0.0 109.998 174.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.45 -53.46 41.0 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 168.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.86 -46.82 68.03 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 117.872 0.836 . . . . 0.0 111.281 174.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.2 tp -57.68 -45.48 85.55 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.525 1.13 . . . . 0.0 110.046 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.02 96.36 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.828 0.451 . . . . 0.0 111.044 175.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.1 tmm? -56.98 -46.83 81.95 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 122.1 -0.375 . . . . 0.0 109.997 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.94 -43.58 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 125.2 1.4 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -50.71 -54.8 20.26 Favored 'General case' 0 C--N 1.342 0.25 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 171.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 68.94 -54.58 0.56 Allowed 'General case' 0 CA--C 1.527 0.078 0 C-N-CA 126.976 2.11 . . . . 0.0 113.992 171.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -49.89 -42.01 46.98 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.854 0.862 . . . . 0.0 110.039 173.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.35 -44.04 61.96 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.478 0.711 . . . . 0.0 111.632 172.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 21.9 mt . . . . . 0 N--CA 1.456 -0.173 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 176.846 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.446 -0.65 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -58.05 -41.79 64.45 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.943 1.762 . . . . 0.0 113.893 -173.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 60.2 tp -80.05 -46.97 15.61 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.5 -35.22 69.95 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 119.409 -0.329 . . . . 0.0 111.709 -170.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -62.44 -40.72 97.48 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.652 0.66 . . . . 0.0 111.783 173.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.01 -51.4 39.58 Favored 'General case' 0 CA--C 1.519 -0.239 0 O-C-N 121.631 -0.668 . . . . 0.0 110.402 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 pt -56.79 -44.89 82.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 118.915 -1.114 . . . . 0.0 108.222 172.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.44 -44.48 5.16 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.726 1.155 . . . . 0.0 112.651 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -62.09 2.02 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 117.979 0.89 . . . . 0.0 110.624 177.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -49.57 -49.73 45.27 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.08 0.952 . . . . 0.0 109.747 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.76 -50.75 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.295 -176.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.85 -54.78 32.78 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.8 mt -49.84 -54.82 6.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -57.27 -62.51 1.71 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 120.957 0.408 . . . . 0.0 111.671 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.89 -30.69 69.24 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.642 -0.661 . . . . 0.0 111.7 -168.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -60.12 -47.24 86.73 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.777 0.717 . . . . 0.0 109.458 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -58.59 -46.56 86.71 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 118.398 -0.81 . . . . 0.0 111.338 174.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.5 p -50.51 -48.71 56.89 Favored 'General case' 0 C--N 1.341 0.206 0 CA-C-N 118.829 0.741 . . . . 0.0 109.678 177.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 C-N-CA 125.973 1.749 . . . . 0.0 114.531 175.96 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 37.6 p -149.18 134.73 18.58 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.59 1.156 . . . . 0.0 109.9 -172.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 58.3 mt -110.23 146.59 35.35 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 168.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.2 p -78.44 155.82 29.71 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.429 1.013 . . . . 0.0 108.877 168.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -57.64 -42.13 82.79 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.467 -0.771 . . . . 0.0 112.579 -173.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -67.8 -37.52 82.12 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.774 -1.204 . . . . 0.0 110.729 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.0 -40.37 88.99 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.496 -0.753 . . . . 0.0 110.346 175.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.513 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.9 tm? -54.81 -49.03 71.99 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 170.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -54.11 -40.61 67.47 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.092 -1.005 . . . . 0.0 111.349 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.3 -47.87 82.37 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 122.225 0.21 . . . . 0.0 110.534 176.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 tt -50.39 -52.02 41.05 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 124.052 0.941 . . . . 0.0 109.715 175.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 39.8 mt -59.75 -52.32 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 122.59 0.356 . . . . 0.0 110.506 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -61.13 -28.55 69.18 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -76.34 -62.47 1.61 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.577 0.626 . . . . 0.0 111.173 170.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -66.54 -56.92 8.56 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.583 0.353 . . . . 0.0 110.802 -170.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 89.4 mt . . . . . 0 C--N 1.33 -0.253 0 C-N-CA 123.024 0.53 . . . . 0.0 110.272 -171.844 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 CA--C 1.531 0.212 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.45 -48.92 56.32 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.044 0.537 . . . . 0.0 111.425 173.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -64.06 -41.7 97.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 42.7 mm -57.64 -46.18 86.5 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 CA-C-O 118.656 -0.687 . . . . 0.0 110.794 177.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.9 m -70.03 -34.3 59.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 119.827 1.194 . . . . 0.0 112.078 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -58.64 -52.8 64.12 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.839 0.745 . . . . 0.0 109.71 171.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tt -55.72 -44.79 77.82 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.016 0.927 . . . . 0.0 111.059 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 39.7 ttp -56.08 -51.31 68.31 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.341 1.056 . . . . 0.0 109.021 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -54.39 -50.55 67.27 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -60.2 -26.7 66.58 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.22 -60.99 1.98 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.755 0.707 . . . . 0.0 110.445 169.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -67.29 -31.4 71.69 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -170.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 12.1 ptt85 . . . . . 0 C--N 1.339 0.133 0 CA-C-N 118.947 0.794 . . . . 0.0 111.724 -169.289 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 104.309 -2.478 . . . . 0.0 104.309 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 9.5 t -94.15 107.47 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -78.76 148.83 32.83 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -46.36 -57.25 4.79 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.872 1.269 . . . . 0.0 114.058 -169.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -61.9 -37.02 83.02 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 119.247 -0.981 . . . . 0.0 110.561 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -64.93 -41.39 95.57 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.18 0.592 . . . . 0.0 110.061 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -52.48 -55.52 21.42 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.004 0.365 . . . . 0.0 110.445 170.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 20.8 mm -56.26 -51.34 64.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 120.979 0.418 . . . . 0.0 110.038 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 75.2 m -52.67 -50.41 63.31 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 124.264 1.026 . . . . 0.0 110.202 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -62.03 -43.53 98.64 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 119.144 -0.455 . . . . 0.0 110.777 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 74.2 mt -56.14 -37.06 68.98 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.29 0.95 . . . . 0.0 110.128 173.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.18 -48.87 76.63 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 169.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.83 -48.96 76.83 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.259 1.03 . . . . 0.0 110.855 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.2 tp -53.84 -49.34 68.66 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.178 1.391 . . . . 0.0 109.506 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.441 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -59.14 -43.32 92.0 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.755 0.822 . . . . 0.0 111.305 176.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 22.5 ttt -64.62 -41.46 96.18 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.097 0.559 . . . . 0.0 110.638 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 72.2 mt -59.6 -42.29 87.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 173.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -73.26 56.43 0.47 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.113 0.565 . . . . 0.0 111.207 170.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -47.65 -38.12 14.19 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.399 1.48 . . . . 0.0 111.57 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -48.21 -46.26 34.93 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.136 0.974 . . . . 0.0 111.359 174.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.75 -41.29 98.05 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 117.994 0.361 . . . . 0.0 110.61 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 9.5 mt -65.14 -49.33 70.31 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.015 0.526 . . . . 0.0 110.257 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -47.81 75.07 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.8 0.44 . . . . 0.0 110.955 175.345 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.228 0 CA-C-O 117.03 -1.984 . . . . 0.0 111.448 -179.073 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 CA--C 1.536 0.406 0 CA-C-O 117.392 -1.289 . . . . 0.0 114.235 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.53 -53.98 5.95 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 123.317 2.678 . . . . 0.0 112.611 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.5 tp -66.1 -46.55 77.22 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 121.314 -0.866 . . . . 0.0 109.817 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -52.39 -50.46 62.43 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 122.535 0.334 . . . . 0.0 110.814 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -61.66 -39.05 89.98 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.194 0.452 . . . . 0.0 110.863 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.49 -55.22 22.12 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.807 -0.558 . . . . 0.0 111.799 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.8 pt -57.32 -42.42 80.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 118.899 0.772 . . . . 0.0 108.945 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.73 -43.74 16.44 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 125.682 1.61 . . . . 0.0 112.739 170.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.5 -60.5 3.7 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.464 1.132 . . . . 0.0 109.657 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -52.08 -48.67 64.57 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.872 0.869 . . . . 0.0 110.152 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.4 -51.81 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -177.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.12 -51.25 58.56 Favored Glycine 0 CA--C 1.522 0.507 0 C-N-CA 124.698 1.142 . . . . 0.0 110.308 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mt -52.13 -57.6 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -55.57 -52.53 63.42 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 120.933 0.397 . . . . 0.0 111.142 -174.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -74.66 -25.66 59.34 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 118.698 -0.668 . . . . 0.0 112.082 -172.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -60.06 -57.56 12.31 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 169.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -63.11 -39.59 95.14 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.882 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 m -62.27 -55.36 29.08 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 174.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.779 0 C-N-CA 125.491 1.52 . . . . 0.0 112.201 178.812 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 m170 . . . . . 0 CA--C 1.538 0.508 0 CA-C-O 120.748 0.309 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.0 p -152.3 126.45 9.19 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.6 1.16 . . . . 0.0 110.181 -169.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.3 mt -97.41 135.28 39.52 Favored 'General case' 0 C--O 1.227 -0.12 0 O-C-N 123.862 0.726 . . . . 0.0 110.352 174.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.7 m -78.09 151.81 33.2 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 168.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -54.23 -47.04 72.64 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -168.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -69.1 -31.28 69.88 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.345 -0.847 . . . . 0.0 111.158 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.63 -43.8 92.54 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 173.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.528 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.3 tm? -55.29 -48.18 74.44 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.685 0.394 . . . . 0.0 110.158 171.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -55.53 -42.99 75.34 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 120.354 -1.466 . . . . 0.0 111.196 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.56 -46.23 89.51 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 122.585 0.354 . . . . 0.0 110.228 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tt -51.43 -54.29 28.36 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 123.867 0.867 . . . . 0.0 109.497 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.2 mt -62.14 -55.41 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.646 -175.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -53.32 -42.24 66.49 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 118.75 -0.643 . . . . 0.0 111.368 -176.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -74.89 -58.95 2.97 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.136 -0.625 . . . . 0.0 110.881 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -68.58 -46.69 68.73 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 122.041 -0.412 . . . . 0.0 111.829 -167.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 CA--C 1.538 0.502 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.949 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 C--O 1.224 -0.263 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.81 -48.27 59.74 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.248 0.547 . . . . 0.0 111.362 174.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -65.08 -42.47 94.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 42.1 mm -56.68 -47.89 81.67 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.583 176.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.6 m -68.15 -36.04 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 120.054 1.297 . . . . 0.0 112.061 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -57.56 -51.2 70.45 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.683 1.129 . . . . 0.0 109.934 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 tt -57.49 -44.59 85.08 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.28 0.632 . . . . 0.0 111.32 177.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -38.74 92.29 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.533 -0.729 . . . . 0.0 109.814 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.61 -46.57 89.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 172.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -56.54 -48.92 76.25 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.354 0.524 . . . . 0.0 111.102 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mt -52.19 -62.45 1.63 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.439 0.695 . . . . 0.0 109.553 172.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -68.33 -19.92 64.69 Favored 'General case' 0 C--O 1.225 -0.187 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -171.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -52.93 -32.26 44.61 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.182 0.901 . . . . 0.0 110.506 172.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.97 -23.15 55.32 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 119.307 -0.377 . . . . 0.0 112.007 178.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -165.43 91.93 0.53 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.117 1.367 . . . . 0.0 108.242 -177.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -62.18 -36.11 80.9 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -168.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -64.28 -57.73 8.58 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.472 0.654 . . . . 0.0 111.123 -169.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -160.87 132.99 5.93 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.5 m -77.77 117.67 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -168.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -78.97 149.53 32.24 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.298 -175.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -41.17 -51.11 3.51 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.758 1.223 . . . . 0.0 113.843 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -58.71 -47.35 84.86 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.452 -0.78 . . . . 0.0 109.984 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -66.38 -37.98 86.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.66 0.384 . . . . 0.0 110.145 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -54.22 -54.37 40.82 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.95 0.5 . . . . 0.0 110.625 170.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.9 mm -58.23 -48.47 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 118.914 0.779 . . . . 0.0 110.267 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.0 m -50.69 -51.78 46.25 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.259 0.624 . . . . 0.0 110.004 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.22 -43.48 98.8 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 122.991 0.516 . . . . 0.0 110.793 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.06 -33.05 68.62 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.134 0.879 . . . . 0.0 110.813 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.43 -50.08 67.84 Favored Glycine 0 CA--C 1.532 1.12 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 168.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.84 66.62 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 122.274 -0.545 . . . . 0.0 110.479 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.0 tp -53.45 -46.52 69.92 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.043 1.337 . . . . 0.0 110.356 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.3 -52.53 64.96 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.213 0.605 . . . . 0.0 110.667 177.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . 0.289 3.6 ppp? -67.12 -25.9 66.42 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 119.511 -0.876 . . . . 0.0 112.427 177.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 mp -59.09 -43.18 88.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 168.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -74.72 51.52 0.48 Allowed 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.605 -0.685 . . . . 0.0 110.668 169.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -44.79 -42.91 8.21 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 126.397 1.879 . . . . 0.0 112.639 -173.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -53.37 -37.17 62.15 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.27 0.628 . . . . 0.0 111.815 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.14 -35.49 77.24 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.001 0.52 . . . . 0.0 111.396 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -177.262 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.541 0.604 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -64.12 -32.01 64.17 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 CA-C-N 121.293 1.498 . . . . 0.0 113.839 -170.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.1 tp -81.76 -47.44 12.89 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.925 0.784 . . . . 0.0 109.397 169.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -50.16 -42.27 50.62 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 123.867 0.867 . . . . 0.0 111.846 -174.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -53.92 -44.16 70.35 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.361 0.528 . . . . 0.0 111.568 175.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.85 -53.18 19.27 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.737 -0.602 . . . . 0.0 110.71 -173.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 40.2 pt -57.29 -40.51 74.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 173.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.84 -42.03 28.75 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 125.821 1.676 . . . . 0.0 111.968 171.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -59.52 5.28 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.141 0.971 . . . . 0.0 109.932 176.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -50.72 -47.13 59.29 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.34 0.656 . . . . 0.0 110.326 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.1 mt -61.02 -53.1 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.858 0.863 . . . . 0.0 109.588 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.4 -51.25 48.8 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 124.932 1.253 . . . . 0.0 110.702 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 mt -52.88 -60.95 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 175.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -50.14 -54.9 17.54 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 121.05 0.453 . . . . 0.0 111.333 -174.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -72.62 -25.93 61.49 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.154 0.582 . . . . 0.0 112.399 -174.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -64.07 -50.0 70.09 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.459 1.027 . . . . 0.0 108.71 169.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -64.97 -42.34 94.65 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.878 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 51.6 p -63.46 -44.74 93.61 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 119.621 1.1 . . . . 0.0 108.784 172.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.558 0 C-N-CA 126.415 1.96 . . . . 0.0 112.423 170.263 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 69.0 p -134.33 158.41 43.88 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.317 1.447 . . . . 0.0 109.269 176.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 52.9 mt -123.75 141.59 51.88 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 169.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 18.3 t -76.28 146.93 38.59 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 169.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.33 -36.06 63.37 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -172.11 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -77.4 -30.62 53.67 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.046 -1.034 . . . . 0.0 111.029 176.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.7 -42.5 97.95 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.266 -0.896 . . . . 0.0 108.672 171.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.554 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.6 tm? -54.54 -49.46 70.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 170.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -51.81 -46.2 64.17 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.837 1.199 . . . . 0.0 111.062 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.1 -50.17 71.8 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 tt -49.02 -54.48 15.55 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 124.385 1.074 . . . . 0.0 110.542 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -59.76 -58.57 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -56.87 -35.82 69.36 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.469 0.577 . . . . 0.0 110.955 -174.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -79.86 -44.99 19.47 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -76.07 -68.67 0.56 Allowed 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 176.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -177.836 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 C--O 1.226 -0.182 0 CA-C-O 119.246 -0.407 . . . . 0.0 111.411 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.86 -50.18 64.3 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.51 0.671 . . . . 0.0 111.08 170.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -63.93 -42.06 97.46 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 33.9 mm -56.55 -45.2 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.853 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.279 13.7 m -67.17 -37.09 78.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 120.242 1.383 . . . . 0.0 112.369 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -58.54 -51.48 69.71 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.144 0.884 . . . . 0.0 110.221 172.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 tt -56.76 -43.88 81.21 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.631 -0.668 . . . . 0.0 111.181 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -59.95 -44.46 94.4 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 124.355 1.062 . . . . 0.0 110.078 177.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -57.39 -48.98 77.64 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 173.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -58.84 -44.14 90.88 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 122.097 -0.377 . . . . 0.0 111.544 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mt -58.89 -57.09 14.58 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.423 0.63 . . . . 0.0 110.016 171.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.25 -16.51 64.08 Favored 'General case' 0 N--CA 1.458 -0.048 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 -172.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 . . . . . 0 C--N 1.342 0.264 0 C-N-CA 125.864 1.665 . . . . 0.0 110.404 168.813 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 4.8 t -93.75 148.58 4.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 127.708 2.403 . . . . 0.0 106.426 168.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.38 152.68 25.96 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 119.382 0.992 . . . . 0.0 110.02 170.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -42.15 -54.98 3.43 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.099 1.36 . . . . 0.0 113.625 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -58.95 -46.89 86.91 Favored 'General case' 0 N--CA 1.457 -0.079 0 O-C-N 121.637 -0.664 . . . . 0.0 109.951 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -63.45 -42.29 98.65 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -52.74 -54.95 26.57 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.082 0.553 . . . . 0.0 111.077 173.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 33.1 mm -58.53 -51.57 70.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 119.27 0.941 . . . . 0.0 110.373 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 37.4 m -53.15 -48.07 68.24 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.63 0.728 . . . . 0.0 110.001 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -62.7 -43.57 98.46 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 123.88 0.872 . . . . 0.0 110.409 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 71.2 mt -56.86 -33.5 66.89 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.363 0.983 . . . . 0.0 110.449 173.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.47 -50.71 64.14 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 169.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.55 75.57 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.612 -0.934 . . . . 0.0 111.136 173.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 tp -61.9 -43.25 99.24 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.884 0.874 . . . . 0.0 110.2 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.48 -44.7 76.74 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.247 0.619 . . . . 0.0 110.415 171.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 63.0 mtm -64.4 -38.26 90.41 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 175.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.99 -42.21 92.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -74.71 53.61 0.58 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.636 0.774 . . . . 0.0 109.313 169.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -51.34 -39.33 56.78 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 125.332 1.453 . . . . 0.0 113.555 -167.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -44.37 -45.51 8.92 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.109 0.964 . . . . 0.0 111.125 174.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.26 -33.46 67.62 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.463 0.705 . . . . 0.0 111.966 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 45.6 mt -62.59 -40.86 98.25 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.19 0.45 . . . . 0.0 109.926 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -76.87 -46.57 24.13 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 116.978 -2.012 . . . . 0.0 109.576 177.139 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 117.746 -1.121 . . . . 0.0 113.445 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -53.7 -45.92 37.51 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 122.657 2.238 . . . . 0.0 112.625 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.9 tp -73.53 -46.31 48.46 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 120.071 -0.652 . . . . 0.0 109.247 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -51.87 -48.47 64.03 Favored 'General case' 0 CA--C 1.527 0.067 0 C-N-CA 123.204 0.602 . . . . 0.0 110.666 -176.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -61.74 -38.52 88.27 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 117.929 0.331 . . . . 0.0 111.087 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.97 -53.9 27.12 Favored 'General case' 0 N--CA 1.455 -0.195 0 O-C-N 121.736 -0.603 . . . . 0.0 111.194 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.8 pt -57.38 -44.68 84.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 174.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.13 -42.05 16.04 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 125.604 1.573 . . . . 0.0 112.35 172.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -60.39 3.85 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.963 0.905 . . . . 0.0 109.932 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -51.79 -47.0 64.42 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.243 0.617 . . . . 0.0 110.184 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.6 mt -60.29 -53.32 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.394 0.678 . . . . 0.0 109.716 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.81 -50.35 61.47 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 125.068 1.318 . . . . 0.0 110.224 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.1 mt -50.96 -61.71 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -50.66 -53.63 29.51 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 121.255 0.55 . . . . 0.0 111.452 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -75.21 -24.52 57.76 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.972 -0.537 . . . . 0.0 111.834 -171.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -63.06 -53.73 49.21 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.243 0.928 . . . . 0.0 109.073 169.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -63.1 -39.6 95.19 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 122.205 -0.309 . . . . 0.0 111.332 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -59.68 -48.45 81.64 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 172.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.613 0 C-N-CA 125.839 1.685 . . . . 0.0 112.206 174.421 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.5 m170 . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.7 p -148.32 118.49 7.27 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 125.516 1.526 . . . . 0.0 109.393 -174.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.8 mt -90.03 143.49 26.73 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 169.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.3 p -78.63 157.34 28.71 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 168.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -51.35 -47.04 62.88 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.259 0.552 . . . . 0.0 111.738 -176.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -73.51 -34.15 65.12 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.545 -0.722 . . . . 0.0 110.884 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.52 -44.81 95.45 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 121.741 -0.599 . . . . 0.0 109.809 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.566 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.8 tm? -54.09 -48.96 70.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 170.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -55.19 -44.86 75.69 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 120.911 -1.118 . . . . 0.0 110.636 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.99 -51.55 65.86 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.388 0.675 . . . . 0.0 110.431 175.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -44.33 -53.27 6.91 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 124.685 1.194 . . . . 0.0 110.197 171.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 54.8 mt -65.76 -44.46 93.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 O-C-N 121.685 -0.635 . . . . 0.0 111.787 -177.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -59.82 -43.81 94.34 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.607 -0.683 . . . . 0.0 110.606 178.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -80.11 -38.48 31.5 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.981 -0.449 . . . . 0.0 111.915 -173.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -80.14 -61.21 2.05 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 122.791 0.436 . . . . 0.0 110.62 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 N--CA 1.463 0.181 0 O-C-N 121.589 -0.694 . . . . 0.0 110.294 -169.748 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 CA--C 1.532 0.25 0 N-CA-C 110.801 -0.074 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.53 -47.56 57.5 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.557 0.743 . . . . 0.0 111.285 173.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -64.22 -42.23 96.67 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.9 mm -56.63 -48.81 80.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.422 175.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.256 14.6 m -69.42 -31.99 51.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 119.846 1.203 . . . . 0.0 112.369 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -58.81 -53.11 62.07 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.205 0.911 . . . . 0.0 109.748 169.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.93 -44.18 74.04 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.222 1.009 . . . . 0.0 111.038 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.1 ttp -57.77 -49.84 75.25 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.443 1.097 . . . . 0.0 108.616 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -56.38 -48.04 77.69 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -56.03 -47.33 78.04 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.886 0.474 . . . . 0.0 111.523 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.33 -62.58 1.67 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.014 0.526 . . . . 0.0 110.017 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.1 -19.78 65.69 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -171.172 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -34.97 -53.44 0.57 Allowed 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 126.468 1.907 . . . . 0.0 110.949 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.595 HD21 ' HA ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -40.92 -38.24 0.93 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.932 1.293 . . . . 0.0 113.504 -178.106 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -147.16 59.13 1.17 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 13.61 82.93 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.653 2.381 . . . . 0.0 114.33 171.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 104.51 -15.43 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 128.703 2.801 . . . . 0.0 113.288 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -117.07 137.96 51.93 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.983 0.913 . . . . 0.0 109.619 172.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.595 ' HA ' HD21 ' A' ' 63' ' ' ASN . 13.8 p -107.86 112.65 41.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 123.218 0.607 . . . . 0.0 109.47 168.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -79.48 150.95 31.06 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.185 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -45.74 -50.73 13.54 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.498 1.119 . . . . 0.0 113.794 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -60.67 -41.06 94.3 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.371 -0.831 . . . . 0.0 110.586 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -74.99 -34.1 61.93 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.927 0.491 . . . . 0.0 110.872 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -55.68 -53.97 49.99 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 169.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.7 mm -56.06 -52.43 50.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.0 m -49.94 -51.59 39.97 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.607 0.363 . . . . 0.0 111.106 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.96 -42.97 99.72 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.717 0.407 . . . . 0.0 110.871 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.4 mt -57.07 -36.58 70.71 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.193 0.906 . . . . 0.0 110.102 173.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.66 -50.18 64.99 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 168.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.28 -44.25 79.6 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.21 1.005 . . . . 0.0 111.395 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 tp -58.59 -47.87 82.85 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.331 1.053 . . . . 0.0 109.517 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.466 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -59.14 -42.45 90.72 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.436 0.694 . . . . 0.0 111.223 175.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -61.09 -46.26 91.34 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.036 0.535 . . . . 0.0 110.265 176.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.32 -42.95 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -72.13 55.56 0.31 Allowed 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.944 -0.473 . . . . 0.0 110.721 170.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.28 -34.93 66.93 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.049 -1.032 . . . . 0.0 111.336 -170.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -48.43 -44.53 35.33 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.197 0.999 . . . . 0.0 110.918 173.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.65 81.35 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.108 0.563 . . . . 0.0 111.025 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.0 mt . . . . . 0 C--N 1.339 0.139 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.359 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.91 -35.62 98.29 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.129 2.553 . . . . 0.0 112.224 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.5 tp -78.79 -46.41 18.86 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.917 0.78 . . . . 0.0 109.308 175.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -49.61 -49.91 44.97 Favored 'General case' 0 C--N 1.339 0.14 0 C-N-CA 123.139 0.576 . . . . 0.0 110.761 -177.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -59.15 -39.23 81.81 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 111.399 0.148 . . . . 0.0 111.399 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.14 -53.07 27.84 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.901 -0.499 . . . . 0.0 110.766 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 36.7 pt -57.59 -43.93 84.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 176.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.07 -47.37 15.11 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 125.492 1.52 . . . . 0.0 112.462 170.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -60.69 3.17 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.85 0.86 . . . . 0.0 110.225 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -51.85 -46.46 64.4 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 123.476 0.71 . . . . 0.0 110.109 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.466 HD11 ' HB1' ' A' ' 81' ' ' ALA . 62.8 mt -59.48 -51.76 68.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 122.607 0.363 . . . . 0.0 110.381 -178.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.55 -54.63 34.76 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.0 mt -49.09 -42.44 14.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 123.166 0.586 . . . . 0.0 110.656 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -66.13 -66.33 0.56 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.659 0.742 . . . . 0.0 111.433 176.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -66.25 -24.22 66.55 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -166.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -52.48 -46.56 66.6 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.886 0.766 . . . . 0.0 109.794 169.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -80.51 -40.34 26.23 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 118.708 -0.663 . . . . 0.0 110.191 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.9 m -50.17 -41.74 49.79 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.989 0.813 . . . . 0.0 110.879 169.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.183 0 C-N-CA 124.226 0.917 . . . . 0.0 113.582 173.363 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.7 m170 . . . . . 0 CA--C 1.535 0.403 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 40.9 p -128.85 164.37 23.23 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.634 1.574 . . . . 0.0 108.923 -177.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 tt -149.85 119.94 7.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.2 p -77.91 167.38 21.59 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.634 0.652 . . . . 0.0 112.184 -169.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -58.07 -56.2 25.11 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -168.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -80.21 -24.52 40.17 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 121.251 -0.906 . . . . 0.0 110.827 -178.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -60.06 -44.23 94.85 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.458 0.703 . . . . 0.0 109.343 170.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.518 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.9 tm? -56.61 -50.18 72.74 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 171.196 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -53.87 -45.0 70.89 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.453 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -56.74 -48.83 76.93 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.049 0.54 . . . . 0.0 110.994 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 tt -49.14 -53.62 20.05 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 123.189 0.596 . . . . 0.0 109.492 174.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.7 mt -60.68 -53.78 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 O-C-N 121.741 -0.599 . . . . 0.0 110.327 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -49.62 -47.32 49.79 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 119.004 -0.522 . . . . 0.0 110.709 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -79.76 -50.69 10.2 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.5 -177.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -75.25 -42.99 53.9 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.235 0.47 . . . . 0.0 111.811 -169.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.533 0.315 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 174.073 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.1 t70 . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.28 -47.75 65.7 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.271 0.557 . . . . 0.0 110.942 174.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -63.18 -43.65 97.64 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 23.3 mm -56.32 -45.79 81.49 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.371 176.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.273 12.5 m -69.65 -35.18 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-N 120.505 1.502 . . . . 0.0 112.732 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -58.92 -51.84 68.33 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.601 1.092 . . . . 0.0 110.017 171.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.64 -45.13 73.71 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.442 1.097 . . . . 0.0 110.936 176.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -61.63 -44.74 96.41 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.786 0.835 . . . . 0.0 109.266 177.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -54.64 -50.38 68.28 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 175.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -56.82 -52.87 63.39 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.824 -0.548 . . . . 0.0 110.84 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.39 -58.85 5.4 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.621 0.769 . . . . 0.0 111.137 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.48 -30.87 64.92 Favored 'General case' 0 N--CA 1.457 -0.081 0 O-C-N 121.82 -0.55 . . . . 0.0 111.697 -172.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 121.081 0.467 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 t -109.77 126.82 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 N-CA-C 105.412 -2.07 . . . . 0.0 105.412 169.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -83.79 159.29 21.46 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.196 0.907 . . . . 0.0 108.93 168.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -51.27 -49.88 60.34 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -176.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -58.99 -46.82 87.21 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.49 -0.756 . . . . 0.0 110.176 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -59.33 -45.79 90.36 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 123.657 0.783 . . . . 0.0 109.909 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -53.96 -52.96 59.0 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.236 0.614 . . . . 0.0 110.492 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.5 mm -57.83 -52.9 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 118.102 0.41 . . . . 0.0 110.215 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 78.3 m -49.9 -49.99 47.64 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.777 0.431 . . . . 0.0 110.947 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -59.17 -44.53 92.16 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.986 0.514 . . . . 0.0 110.669 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 75.3 mt -59.46 -35.44 74.07 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.093 0.86 . . . . 0.0 110.977 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.8 -47.68 87.07 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 169.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.9 -46.01 78.49 Favored 'General case' 0 C--O 1.222 -0.345 0 O-C-N 121.952 -0.734 . . . . 0.0 110.288 174.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 7.5 tp -60.39 -42.8 96.65 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.179 0.991 . . . . 0.0 110.819 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.81 -48.63 69.67 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.83 -0.544 . . . . 0.0 109.982 171.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 31.0 ttp -65.16 -35.39 80.95 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 5.5 mm -58.74 -50.24 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 C-N-CA 123.79 0.836 . . . . 0.0 108.946 173.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -56.68 -43.09 80.1 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 177.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.5 t30 70.49 -61.54 0.46 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.192 1.797 . . . . 0.0 113.146 168.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -49.32 -44.49 44.37 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.387 1.075 . . . . 0.0 109.709 176.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.14 -43.06 6.78 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.736 1.214 . . . . 0.0 112.31 173.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.36 -34.96 79.55 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.613 0.365 . . . . 0.0 110.917 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -73.25 -44.61 59.1 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.238 0 CA-C-O 117.091 -1.949 . . . . 0.0 110.222 174.893 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 CA--C 1.536 0.436 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.06 -44.85 42.98 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.72 2.28 . . . . 0.0 112.499 -178.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.2 tp -74.67 -45.93 41.35 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -50.71 -48.79 58.67 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.512 0.725 . . . . 0.0 110.703 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -62.3 -38.92 91.24 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.295 0.498 . . . . 0.0 111.433 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.38 -53.47 35.61 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.569 -0.707 . . . . 0.0 111.327 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.0 pt -58.18 -42.17 82.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 175.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.2 -44.38 9.88 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 125.481 1.515 . . . . 0.0 112.219 169.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -61.46 2.57 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.017 0.908 . . . . 0.0 110.188 177.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -51.59 -46.92 63.68 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.666 0.786 . . . . 0.0 110.317 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.518 HD11 ' HB1' ' B' ' 81' ' ' ALA . 63.4 mt -61.14 -51.15 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.119 0.968 . . . . 0.0 109.683 -178.415 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.57 -55.47 29.67 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mt -49.12 -51.99 11.72 Favored 'Isoleucine or valine' 0 C--N 1.34 0.164 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -59.52 -67.07 0.41 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.346 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -27.58 68.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -168.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -56.86 -50.65 71.82 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 170.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -64.2 -44.88 90.6 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-O 118.827 -0.606 . . . . 0.0 110.665 175.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.8 m -48.81 -44.16 38.95 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 118.672 0.669 . . . . 0.0 111.185 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.198 0 C-N-CA 124.803 1.192 . . . . 0.0 113.941 176.222 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 120.702 0.287 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.9 p -144.38 156.54 44.27 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.074 1.349 . . . . 0.0 109.912 -172.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.0 mt -132.33 135.74 46.39 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 167.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -75.82 149.48 37.88 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 119.832 1.196 . . . . 0.0 108.952 172.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -50.64 -47.76 58.4 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.542 0.687 . . . . 0.0 112.847 -169.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 tmpt? -71.04 -29.41 65.31 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.387 -0.821 . . . . 0.0 111.235 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -66.47 -41.94 88.26 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.262 -0.899 . . . . 0.0 109.127 175.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.509 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.0 tm? -57.05 -49.35 76.11 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 169.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -52.95 -44.33 67.01 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 119.42 -0.912 . . . . 0.0 110.464 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.41 -49.39 74.67 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.59 0.632 . . . . 0.0 111.101 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 tt -50.26 -52.07 39.37 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 124.082 0.953 . . . . 0.0 109.712 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.8 mt -63.72 -47.44 91.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.278 0 CA-C-O 118.912 -0.566 . . . . 0.0 111.031 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -53.63 -43.76 68.98 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 119.134 0.879 . . . . 0.0 110.373 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -68.61 -51.04 46.7 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.98 0.355 . . . . 0.0 111.889 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -74.46 -63.2 1.29 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 122.166 0.984 . . . . 0.0 109.076 -174.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.6 mt . . . . . 0 C--N 1.326 -0.417 0 C-N-CA 124.625 1.17 . . . . 0.0 108.091 -173.523 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.3 t70 . . . . . 0 C--O 1.223 -0.332 0 CA-C-O 119.057 -0.496 . . . . 0.0 111.912 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.68 -50.36 55.11 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.498 0.59 . . . . 0.0 111.529 172.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -60.97 -46.86 89.04 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 33.9 mm -56.57 -41.74 74.12 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.041 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.2 m -75.04 -31.89 25.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 120.343 1.429 . . . . 0.0 112.555 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.29 -51.84 68.24 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.476 1.035 . . . . 0.0 109.235 169.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -54.76 -45.4 74.19 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.659 0.784 . . . . 0.0 110.911 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.5 ttp -57.25 -47.4 81.48 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 124.31 1.044 . . . . 0.0 109.135 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -56.72 -49.05 76.34 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.074 0.397 . . . . 0.0 109.991 175.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -60.06 -34.16 73.04 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.6 mt -71.83 -59.23 2.85 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.414 0.685 . . . . 0.0 110.382 172.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.19 -15.55 63.77 Favored 'General case' 0 C--O 1.227 -0.08 0 C-N-CA 124.557 1.143 . . . . 0.0 113.038 -172.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.2 ttp85 -34.16 -39.48 0.08 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.122 1.769 . . . . 0.0 111.059 168.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -30.44 -57.5 0.2 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.777 1.231 . . . . 0.0 113.985 168.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.2 ptpp? -152.71 32.97 0.49 Allowed 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 173.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.306 1.6 p30 61.63 -56.98 0.11 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 128.514 2.726 . . . . 0.0 114.679 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.1 -42.09 73.15 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 123.75 0.82 . . . . 0.0 109.551 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -127.69 155.36 44.08 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.154 0.982 . . . . 0.0 112.912 -173.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 t -92.72 151.93 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 C-N-CA 129.11 2.964 . . . . 0.0 104.911 166.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -112.56 148.91 33.53 Favored 'General case' 0 CA--C 1.523 -0.078 0 C-N-CA 123.458 0.703 . . . . 0.0 109.163 169.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -42.93 -58.38 2.43 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.89 1.276 . . . . 0.0 114.108 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 tm0? -59.88 -42.72 94.39 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 121.539 -0.726 . . . . 0.0 109.267 -174.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -68.83 -35.02 76.45 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.856 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -56.64 -51.5 68.46 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.273 0.629 . . . . 0.0 110.12 170.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.2 mm -57.83 -51.15 73.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 118.55 0.614 . . . . 0.0 109.985 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.8 m -50.15 -50.09 50.02 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.502 0.668 . . . . 0.0 110.699 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -62.95 -43.97 97.34 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 123.058 0.543 . . . . 0.0 110.621 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.1 mt -56.71 -36.27 69.49 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.136 0.88 . . . . 0.0 110.157 172.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.54 -51.12 59.73 Favored Glycine 0 CA--C 1.526 0.749 0 O-C-N 121.839 -0.538 . . . . 0.0 111.812 169.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.56 -45.09 77.32 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.919 -0.753 . . . . 0.0 111.082 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 tp -56.47 -48.79 76.38 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.704 1.202 . . . . 0.0 110.043 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.419 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -57.57 -44.84 85.61 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.701 0.8 . . . . 0.0 110.626 176.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 23.3 ttt -64.53 -40.29 95.34 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 122.201 -0.312 . . . . 0.0 111.38 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.7 mt -60.8 -41.85 90.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 123.82 0.848 . . . . 0.0 109.214 174.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -72.36 55.71 0.34 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.145 0.578 . . . . 0.0 110.082 169.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -55.97 -34.74 66.01 Favored 'General case' 0 N--CA 1.456 -0.133 0 O-C-N 121.406 -0.809 . . . . 0.0 112.106 -169.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -47.41 -45.32 25.31 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.928 0.891 . . . . 0.0 111.385 172.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.97 97.2 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 123.011 0.524 . . . . 0.0 110.729 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--O 1.226 -0.175 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.508 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.45 -0.447 0 CA-C-O 117.632 -1.175 . . . . 0.0 113.915 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -52.83 -54.53 4.95 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 123.446 2.764 . . . . 0.0 112.364 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 51.9 tp -66.08 -45.75 80.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.062 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -53.22 -50.73 64.12 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 122.381 0.272 . . . . 0.0 110.821 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -62.27 -38.92 91.14 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 122.171 -0.331 . . . . 0.0 110.77 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.69 -54.39 36.36 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.923 -0.486 . . . . 0.0 111.71 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 30.3 pt -57.93 -42.12 81.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 118.78 0.718 . . . . 0.0 109.095 176.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.92 -45.56 19.28 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 125.147 1.356 . . . . 0.0 112.522 169.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.55 -58.66 7.35 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.234 1.017 . . . . 0.0 109.708 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -52.68 -46.6 67.33 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.504 0.722 . . . . 0.0 110.109 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.419 HD11 ' HB1' ' A' ' 81' ' ' ALA . 62.2 mt -60.83 -51.1 77.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 122.806 0.443 . . . . 0.0 110.131 -178.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.46 -55.61 27.72 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -49.57 -43.57 18.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 C-N-CA 123.2 0.6 . . . . 0.0 110.286 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -64.47 -62.8 1.37 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.851 0.75 . . . . 0.0 111.22 176.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -64.9 -26.42 68.31 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.861 1.059 . . . . 0.0 113.861 -168.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -51.76 -45.6 63.78 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.379 0.536 . . . . 0.0 110.23 169.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -81.14 -43.83 18.8 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 118.943 -0.551 . . . . 0.0 110.849 -177.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.7 p -57.17 -33.22 67.23 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 119.408 -0.917 . . . . 0.0 110.816 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 C-N-CA 124.989 1.281 . . . . 0.0 111.594 168.833 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 . . . . . 0 CA--C 1.535 0.383 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 41.5 p -141.29 156.52 45.85 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.329 1.452 . . . . 0.0 109.396 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 90.5 mt -130.44 134.42 47.09 Favored 'General case' 0 C--O 1.225 -0.208 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 167.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.5 p -76.16 151.9 36.82 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.701 1.137 . . . . 0.0 108.07 173.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -54.72 -41.96 70.96 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -167.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -78.26 -26.79 47.36 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.177 -0.952 . . . . 0.0 111.406 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -65.18 -38.3 90.1 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.21 -0.931 . . . . 0.0 109.419 170.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.504 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.9 tm? -57.22 -48.61 78.37 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 170.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -53.51 -46.84 70.21 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.773 1.17 . . . . 0.0 111.261 174.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -50.81 -51.02 54.95 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.535 0.734 . . . . 0.0 110.253 176.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tt -52.9 -53.49 48.42 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 124.056 0.942 . . . . 0.0 109.715 175.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 56.6 mt -59.91 -55.37 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 O-C-N 122.211 -0.306 . . . . 0.0 110.356 -176.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -56.47 -38.41 71.66 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 119.049 -0.5 . . . . 0.0 111.275 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -80.07 -54.54 5.69 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.516 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -81.23 -47.33 13.53 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.586 0.754 . . . . 0.0 111.55 -169.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 N--CA 1.455 -0.193 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 177.39 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.4 t70 . . . . . 0 CA--C 1.531 0.222 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.64 -47.68 70.07 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.335 0.588 . . . . 0.0 111.43 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.45 -43.28 94.73 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 28.4 mm -55.46 -44.5 76.21 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 118.299 -0.857 . . . . 0.0 111.218 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.251 7.9 m -67.12 -39.25 82.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 120.352 1.433 . . . . 0.0 112.119 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -59.12 -49.58 77.32 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.516 -0.74 . . . . 0.0 110.212 173.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tt -56.99 -44.57 82.86 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.985 0.914 . . . . 0.0 111.036 176.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -58.69 -43.77 90.08 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.364 1.066 . . . . 0.0 109.928 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -59.06 -49.83 76.41 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.253 0.479 . . . . 0.0 109.846 173.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -59.08 -33.66 71.07 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.46 -58.14 4.03 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.383 0.673 . . . . 0.0 109.873 172.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -64.81 -22.03 66.9 Favored 'General case' 0 C--O 1.228 -0.044 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -172.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 . . . . . 0 C--N 1.341 0.212 0 C-N-CA 127.015 2.126 . . . . 0.0 111.179 169.002 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.1 152.04 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 127.732 2.413 . . . . 0.0 107.241 169.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -113.09 150.62 31.83 Favored 'General case' 0 CA--C 1.523 -0.066 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 169.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -43.38 -55.22 4.23 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -63.94 -41.86 97.49 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.325 -0.859 . . . . 0.0 109.824 -174.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -64.22 -38.32 90.64 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 122.316 -0.24 . . . . 0.0 111.179 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -55.06 -52.84 61.95 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.253 0.621 . . . . 0.0 109.83 172.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 15.7 mm -60.47 -48.62 87.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-N 118.686 0.676 . . . . 0.0 110.474 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 34.7 m -48.82 -51.93 26.82 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.957 0.903 . . . . 0.0 110.053 177.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -61.41 -47.15 87.11 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 123.529 0.732 . . . . 0.0 110.485 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 74.4 mt -54.78 -34.0 62.09 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 119.039 0.836 . . . . 0.0 110.852 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.17 -51.01 58.57 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 169.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.94 -49.12 79.03 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.039 -0.683 . . . . 0.0 110.789 176.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 tp -51.02 -50.42 58.56 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.58 1.152 . . . . 0.0 110.147 177.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.518 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -58.9 -47.36 85.27 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.708 0.803 . . . . 0.0 110.66 178.348 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 26.0 ttp -62.82 -37.97 88.89 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 122.102 -0.374 . . . . 0.0 111.251 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.22 -40.84 90.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.677 1.191 . . . . 0.0 109.777 174.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 15.6 m-30 -72.88 53.6 0.35 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.873 0.76 . . . . 0.0 109.671 169.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -59.79 -28.84 67.77 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -167.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -46.18 -41.77 13.14 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.627 0.771 . . . . 0.0 110.603 171.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.61 -35.95 79.35 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.628 0.371 . . . . 0.0 111.579 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 16.8 mt -73.1 -51.86 16.44 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 175.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -54.61 -46.16 73.8 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 122.335 -0.228 . . . . 0.0 111.58 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.225 0 CA-C-O 117.498 -1.724 . . . . 0.0 111.219 -174.797 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -59.25 -39.3 79.39 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.779 2.319 . . . . 0.0 112.811 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.9 tp -80.27 -45.41 17.97 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -50.07 -47.05 53.8 Favored 'General case' 0 C--O 1.226 -0.143 0 C-N-CA 123.779 0.832 . . . . 0.0 110.646 -177.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -61.9 -37.77 85.87 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.779 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.17 -52.93 23.05 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.739 -0.601 . . . . 0.0 110.67 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.7 pt -58.47 -41.46 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 119.74 -0.784 . . . . 0.0 109.101 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.48 -46.35 17.23 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.415 1.483 . . . . 0.0 112.044 170.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -59.58 4.8 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.205 1.002 . . . . 0.0 110.044 177.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -51.42 -49.27 61.97 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 123.293 0.637 . . . . 0.0 110.245 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.29 -47.36 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 123.365 0.666 . . . . 0.0 109.624 -176.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.05 -54.13 40.59 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 124.949 1.262 . . . . 0.0 110.318 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 mt -50.44 -56.62 3.67 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -51.37 -58.36 6.44 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.05 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -67.09 -30.56 70.63 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 118.88 -0.581 . . . . 0.0 112.435 -172.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -56.71 -46.86 81.0 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.693 0.679 . . . . 0.0 109.84 170.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -66.96 -45.51 77.52 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 118.317 -0.849 . . . . 0.0 111.379 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.5 m -49.31 -46.84 47.12 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 119.651 1.114 . . . . 0.0 111.056 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.283 0 C-N-CA 124.13 0.872 . . . . 0.0 114.053 177.094 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 . . . . . 0 CA--C 1.532 0.278 0 CA-C-O 122.011 0.91 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.8 m -156.23 155.81 33.02 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.261 1.424 . . . . 0.0 109.189 -169.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.2 mt -129.61 157.75 41.21 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 125.47 1.508 . . . . 0.0 107.355 167.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 m -97.14 176.62 5.87 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.282 0.633 . . . . 0.0 110.124 169.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.09 -65.8 0.59 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.032 1.333 . . . . 0.0 112.059 -171.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -36.81 83.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.392 -177.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -58.46 -45.74 87.99 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.8 0.44 . . . . 0.0 111.142 176.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.525 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.6 tm? -57.19 -49.35 76.25 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -57.98 -38.13 75.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 118.9 -1.12 . . . . 0.0 111.028 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -59.52 -49.69 76.82 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.993 0.917 . . . . 0.0 110.279 175.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 tt -46.31 -54.44 8.95 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.661 0.784 . . . . 0.0 109.922 170.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.9 mt -62.12 -50.32 80.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 O-C-N 121.735 -0.603 . . . . 0.0 111.73 -177.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -61.2 -37.25 82.32 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.558 -0.713 . . . . 0.0 111.113 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -79.72 -46.8 16.39 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.774 0.715 . . . . 0.0 111.466 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -80.78 -48.72 12.08 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.091 0.556 . . . . 0.0 112.051 -174.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.4 mt . . . . . 0 N--CA 1.462 0.125 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -178.459 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 119.58 -0.247 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.93 -46.77 74.97 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 122.681 0.392 . . . . 0.0 111.254 173.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.99 -45.44 92.41 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.9 mm -56.62 -42.97 77.69 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.244 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.774 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.6 m -65.81 -37.01 78.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 120.481 1.491 . . . . 0.0 111.97 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -62.81 -50.99 68.8 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.25 0.932 . . . . 0.0 110.019 173.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.08 -43.46 66.76 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.227 1.011 . . . . 0.0 111.004 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -63.77 -47.56 80.44 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.572 1.149 . . . . 0.0 109.392 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -51.73 -53.04 43.81 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -54.18 -53.15 57.31 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.904 0.481 . . . . 0.0 110.54 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mt -49.44 -55.86 11.7 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.058 0.943 . . . . 0.0 110.989 177.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.17 -32.9 61.39 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.781 -0.575 . . . . 0.0 112.113 -173.013 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.0 ttm-85 -59.13 -34.54 72.17 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 123.113 0.565 . . . . 0.0 111.403 -169.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -49.48 -37.66 27.11 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 174.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -119.69 51.6 1.16 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.203 1.001 . . . . 0.0 109.07 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.273 4.0 p30 59.3 -58.98 0.05 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 129.307 3.043 . . . . 0.0 116.419 169.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -133.98 -21.68 1.87 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.414 1.486 . . . . 0.0 112.042 -172.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -120.12 152.62 37.35 Favored 'General case' 0 C--O 1.225 -0.191 0 C-N-CA 123.845 0.858 . . . . 0.0 109.17 -172.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.0 t -96.11 106.41 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -78.39 152.91 32.01 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.745 -0.597 . . . . 0.0 109.581 176.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -46.69 -55.23 8.1 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -64.48 -39.39 93.71 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.432 -0.793 . . . . 0.0 109.682 -174.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -57.47 -48.84 78.11 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.999 0.519 . . . . 0.0 110.166 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -51.68 -52.56 47.19 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.948 0.499 . . . . 0.0 110.643 176.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.5 mm -57.23 -52.87 51.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 118.306 0.503 . . . . 0.0 110.207 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.6 m -50.04 -52.04 37.44 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.629 0.772 . . . . 0.0 110.469 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -62.68 -43.4 98.89 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 123.525 0.73 . . . . 0.0 110.805 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.7 mt -55.82 -33.09 64.13 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.196 0.907 . . . . 0.0 110.227 173.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.81 -49.36 78.65 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 121.889 -0.507 . . . . 0.0 111.978 169.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.51 -47.34 82.22 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 117.782 0.791 . . . . 0.0 110.96 175.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.0 tp -55.05 -47.76 74.36 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.79 1.236 . . . . 0.0 109.717 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.481 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -58.85 -45.88 89.05 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.473 0.709 . . . . 0.0 110.96 176.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 57.5 ttm -60.06 -43.59 95.32 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 118.385 0.539 . . . . 0.0 110.568 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 83.1 mt -56.19 -43.26 75.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -72.21 51.62 0.24 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.661 0.784 . . . . 0.0 111.844 169.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -45.98 -32.56 2.82 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 127.635 2.374 . . . . 0.0 112.366 172.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.2 mp0 -58.96 -42.26 89.49 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.515 0.726 . . . . 0.0 110.102 176.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.11 -41.92 85.39 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.538 0.735 . . . . 0.0 110.501 177.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--N 1.341 0.202 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 174.817 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.0 -40.87 82.29 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.87 2.38 . . . . 0.0 113.113 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 53.1 tp -79.73 -44.54 20.57 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -50.48 -47.27 57.15 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 123.668 0.787 . . . . 0.0 110.659 -177.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -60.99 -38.91 87.67 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.228 0.467 . . . . 0.0 111.522 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.56 -53.95 19.74 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.744 -0.598 . . . . 0.0 110.843 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 46.4 pt -58.3 -41.35 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 119.781 -0.767 . . . . 0.0 109.156 175.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.67 -44.42 17.06 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 125.95 1.738 . . . . 0.0 112.249 170.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -60.19 4.01 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 118.188 0.994 . . . . 0.0 109.909 178.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -53.38 -46.29 69.59 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 123.649 0.78 . . . . 0.0 110.632 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.481 HD11 ' HB1' ' A' ' 81' ' ' ALA . 54.4 mt -60.84 -51.54 72.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 123.895 0.878 . . . . 0.0 109.536 -177.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.62 -57.85 16.77 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mt -46.54 -50.42 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 123.49 0.716 . . . . 0.0 109.939 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -64.82 -66.59 0.52 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.317 0.58 . . . . 0.0 111.857 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -69.82 -25.57 63.83 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -167.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -45.34 91.97 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 170.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -63.13 -52.52 62.21 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 118.4 -0.81 . . . . 0.0 110.999 173.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -46.07 -47.81 17.1 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.792 0.724 . . . . 0.0 110.918 177.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.142 0 C-N-CA 125.885 1.707 . . . . 0.0 114.383 176.39 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 . . . . . 0 CA--C 1.54 0.56 0 CA-C-O 121.046 0.451 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 13.1 p -147.24 148.99 32.04 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 126.375 1.87 . . . . 0.0 110.019 -169.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 97.2 mt -129.09 151.04 50.21 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 166.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 27.2 p -89.23 160.39 16.96 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 169.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -62.54 -44.21 96.92 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.011 -1.055 . . . . 0.0 112.919 -169.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -74.71 -32.9 62.28 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 120.712 -1.242 . . . . 0.0 110.615 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -58.33 -40.63 82.61 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.438 -0.789 . . . . 0.0 110.149 170.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.467 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.8 tm? -57.16 -44.76 83.77 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.735 -0.603 . . . . 0.0 109.863 171.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -56.49 -46.99 80.21 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 120.414 -1.429 . . . . 0.0 110.879 172.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -54.69 -38.28 66.83 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.464 0.706 . . . . 0.0 111.22 177.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 tt -60.24 -57.87 10.93 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 123.788 0.835 . . . . 0.0 109.783 170.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 44.2 mt -56.08 -50.73 68.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 O-C-N 122.118 -0.364 . . . . 0.0 111.557 -174.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -59.23 -31.52 69.13 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.183 0.447 . . . . 0.0 111.814 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -80.95 -58.13 3.23 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.075 0.464 . . . . 0.0 111.223 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -80.54 -42.93 21.52 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.096 0.959 . . . . 0.0 112.476 -168.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.1 mt . . . . . 0 N--CA 1.462 0.132 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -179.79 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--O 1.225 -0.234 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.46 -49.25 55.7 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.277 0.56 . . . . 0.0 111.289 173.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.87 -42.31 97.56 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 33.4 mm -56.97 -45.41 83.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 118.456 -0.783 . . . . 0.0 110.927 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.6 m -71.69 -31.83 43.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 120.196 1.362 . . . . 0.0 112.457 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -60.23 -51.82 67.92 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.641 1.11 . . . . 0.0 109.558 169.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 tt -55.49 -44.19 76.3 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.419 0.688 . . . . 0.0 110.889 176.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 39.4 ttp -56.26 -50.56 70.97 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.109 0.964 . . . . 0.0 109.439 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -55.08 -47.75 74.47 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.935 0.494 . . . . 0.0 110.21 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -58.43 -45.31 88.73 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 122.157 -0.339 . . . . 0.0 111.08 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.38 -56.72 18.01 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.39 0.676 . . . . 0.0 110.765 174.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -70.9 -15.87 62.64 Favored 'General case' 0 C--N 1.334 -0.081 0 C-N-CA 124.029 0.931 . . . . 0.0 113.085 -171.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.342 0.255 0 C-N-CA 125.286 1.434 . . . . 0.0 110.277 168.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 CA--C 1.533 0.304 0 CA-C-O 121.449 0.642 . . . . 0.0 112.609 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 21.2 t -110.97 111.32 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 127.66 2.384 . . . . 0.0 105.697 169.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -82.61 148.07 28.2 Favored 'General case' 0 C--O 1.232 0.171 0 O-C-N 121.558 -0.714 . . . . 0.0 109.182 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -45.47 -52.54 10.08 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.252 1.021 . . . . 0.0 112.974 -176.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -50.34 -51.67 43.62 Favored 'General case' 0 N--CA 1.457 -0.109 0 O-C-N 122.339 -0.226 . . . . 0.0 110.55 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -72.98 -27.95 62.11 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 119.195 -0.431 . . . . 0.0 111.833 -175.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.66 -49.77 75.39 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 167.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 19.6 mm -60.53 -51.79 68.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 O-C-N 122.009 -0.432 . . . . 0.0 110.629 177.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 10.5 m -48.59 -50.42 32.52 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.684 0.794 . . . . 0.0 110.264 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -60.69 -45.7 93.18 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 118.879 -0.582 . . . . 0.0 110.359 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 75.5 mt -57.35 -35.91 70.52 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.627 1.103 . . . . 0.0 110.918 174.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.99 -49.81 68.78 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 169.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.14 87.32 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 122.041 -0.682 . . . . 0.0 111.63 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 tp -58.06 -49.11 78.03 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.813 1.245 . . . . 0.0 109.081 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.96 -53.63 53.16 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.048 0.539 . . . . 0.0 109.776 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 48.5 ttp -54.32 -44.01 71.68 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.679 0.392 . . . . 0.0 111.353 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.59 -43.56 96.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 124.26 1.024 . . . . 0.0 109.898 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -54.36 -43.32 71.23 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.1 t30 69.22 -61.05 0.44 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 126.304 1.842 . . . . 0.0 113.917 167.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -51.32 -38.4 52.78 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.242 1.017 . . . . 0.0 109.691 175.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.12 -44.12 52.07 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.902 0.881 . . . . 0.0 112.064 172.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.24 -43.38 57.26 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.479 0.712 . . . . 0.0 109.785 -177.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -57.74 -43.02 85.09 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 175.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.251 0 CA-C-O 117.386 -1.786 . . . . 0.0 111.221 -178.944 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.444 0 CA-C-O 117.746 -1.121 . . . . 0.0 111.381 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -40.0 -51.75 3.01 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 124.092 3.194 . . . . 0.0 114.557 170.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.0 tp -64.61 -48.69 73.97 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 121.119 -0.988 . . . . 0.0 110.353 177.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -53.95 -47.33 71.4 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.896 0.478 . . . . 0.0 110.369 -177.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -63.63 -40.69 97.54 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.071 0.396 . . . . 0.0 111.068 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.54 -56.1 25.48 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.915 0.779 . . . . 0.0 111.738 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.3 pt -57.08 -42.79 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.61 -42.65 14.52 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 125.569 1.557 . . . . 0.0 112.907 170.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.85 -60.15 4.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.179 0.989 . . . . 0.0 109.248 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -51.36 -49.07 62.2 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.742 0.817 . . . . 0.0 110.029 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.4 mt -58.96 -50.93 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.982 -177.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.38 -53.8 42.87 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.1 mt -48.72 -51.64 11.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 123.079 0.552 . . . . 0.0 109.694 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -59.62 -53.1 61.94 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.262 0.553 . . . . 0.0 111.818 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -75.12 -22.8 57.96 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -169.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -58.09 -56.83 16.98 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.286 0.948 . . . . 0.0 108.802 169.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -64.18 -38.93 92.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.598 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.2 m -58.95 -53.59 56.69 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 173.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.715 0 C-N-CA 125.403 1.478 . . . . 0.0 112.502 178.937 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.9 m170 . . . . . 0 CA--C 1.537 0.473 0 CA-C-O 120.833 0.349 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.3 t -159.07 121.71 3.6 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.537 1.135 . . . . 0.0 109.097 -174.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.6 mt -91.53 146.85 23.46 Favored 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 123.782 0.833 . . . . 0.0 108.857 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.9 t -79.82 146.7 32.11 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 166.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -53.75 -39.73 65.57 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -169.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -34.72 69.3 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.374 -0.829 . . . . 0.0 111.06 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -62.73 -45.7 91.5 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 174.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.562 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.2 tm? -53.48 -45.53 69.64 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.892 169.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -55.74 -44.6 77.71 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 119.963 -1.711 . . . . 0.0 111.347 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -61.99 -33.73 74.86 Favored 'General case' 0 CA--C 1.535 0.365 0 O-C-N 121.998 -0.439 . . . . 0.0 111.324 176.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.55 -59.21 5.76 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.431 0.693 . . . . 0.0 110.193 169.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.518 HD11 HD11 ' A' ' 34' ' ' LEU . 72.8 mt -53.07 -48.26 53.37 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 CA-C-N 118.473 0.579 . . . . 0.0 110.268 -174.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -53.5 -38.51 63.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 119.504 -0.284 . . . . 0.0 111.561 -175.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -75.91 -59.92 2.54 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -43.84 -52.84 6.47 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.914 2.086 . . . . 0.0 112.033 -175.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.4 mt . . . . . 0 CA--C 1.533 0.289 0 C-N-CA 124.018 0.927 . . . . 0.0 111.807 -178.333 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 . . . . . 0 CA--C 1.528 0.134 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.1 -46.63 68.78 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.493 0.717 . . . . 0.0 111.131 175.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -66.28 -43.44 86.36 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.8 mm -53.47 -50.93 46.26 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 CA-C-O 118.737 -0.649 . . . . 0.0 109.581 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.266 18.5 m -68.49 -32.61 56.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 119.244 0.929 . . . . 0.0 112.79 -176.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -61.2 -50.32 73.61 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.612 1.096 . . . . 0.0 109.853 169.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.418 ' CD2' HD13 ' A' ' 38' ' ' ILE . 2.1 tt -58.58 -38.19 77.39 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.398 0.679 . . . . 0.0 111.357 177.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.7 ttp -60.34 -52.73 64.02 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 125.269 1.428 . . . . 0.0 109.157 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -50.64 -52.64 37.7 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -53.73 -52.16 61.02 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.652 0.381 . . . . 0.0 111.676 176.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mt -51.68 -56.27 14.68 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.61 0.764 . . . . 0.0 110.629 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -73.75 -25.62 60.26 Favored 'General case' 0 C--O 1.228 -0.054 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -172.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.7 ttm-85 -47.4 -44.02 24.03 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 123.691 0.797 . . . . 0.0 110.381 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -50.75 -29.34 11.19 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.699 1.2 . . . . 0.0 113.185 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -136.56 50.14 2.05 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 169.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 p30 57.05 -25.3 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 128.886 2.875 . . . . 0.0 118.692 168.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -170.23 -37.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 120.256 1.389 . . . . 0.0 110.967 -169.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -95.1 163.87 13.11 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 169.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.2 t -113.93 97.26 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 126.299 1.839 . . . . 0.0 106.586 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -78.7 144.09 35.62 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.67 0.272 . . . . 0.0 110.442 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -47.37 -54.39 11.34 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -169.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -54.54 -41.15 69.42 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.469 -0.769 . . . . 0.0 110.401 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -71.5 -36.74 71.21 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.914 0.886 . . . . 0.0 109.855 -176.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -54.5 -53.1 58.83 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.096 0.407 . . . . 0.0 109.918 169.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.7 mm -58.63 -48.88 84.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 O-C-N 122.248 -0.282 . . . . 0.0 110.282 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.9 m -50.68 -51.57 48.1 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.363 0.665 . . . . 0.0 110.338 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -59.62 -44.31 93.51 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.39 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.8 mt -57.91 -34.37 69.75 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.936 0.789 . . . . 0.0 111.314 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.26 -50.68 62.68 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 169.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.78 -42.77 80.03 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 122.163 -0.61 . . . . 0.0 110.862 174.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.59 -43.84 96.91 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.761 0.824 . . . . 0.0 110.19 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.428 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -58.36 -47.5 83.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.35 0.66 . . . . 0.0 110.453 173.068 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -41.41 75.25 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.742 -0.599 . . . . 0.0 110.534 175.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.93 -39.63 82.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 124.629 1.171 . . . . 0.0 111.561 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -51.6 -48.64 63.16 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 169.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 71.82 -59.19 0.56 Allowed 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 125.941 1.696 . . . . 0.0 113.785 167.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -50.35 -41.6 51.8 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.303 1.041 . . . . 0.0 110.364 176.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.75 -42.03 45.4 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.73 1.212 . . . . 0.0 112.092 174.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--O 1.225 -0.229 0 C-N-CA 123.621 0.768 . . . . 0.0 109.966 178.053 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.535 0.387 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -60.22 -40.95 55.13 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.259 1.973 . . . . 0.0 112.879 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 tp -80.32 -46.0 16.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.482 176.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -49.18 -45.91 44.78 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.687 0.795 . . . . 0.0 110.656 -175.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -60.15 -40.21 89.08 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.565 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.31 -55.13 13.17 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.873 -0.517 . . . . 0.0 110.747 -177.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 pt -58.49 -41.5 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.537 176.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.84 -44.96 25.03 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 125.165 1.364 . . . . 0.0 111.892 170.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.08 -60.16 4.01 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 117.846 0.823 . . . . 0.0 110.405 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -52.45 -46.16 66.36 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.615 0.766 . . . . 0.0 110.221 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.428 HD11 ' HB1' ' A' ' 81' ' ' ALA . 59.4 mt -60.13 -51.88 67.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.183 0.593 . . . . 0.0 110.076 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.94 -54.03 39.92 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 mt -49.53 -52.35 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -59.92 -63.5 1.28 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.351 0.596 . . . . 0.0 111.782 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -67.94 -20.89 65.11 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 119.113 -0.47 . . . . 0.0 112.175 -168.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -58.32 -52.6 64.91 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.797 0.726 . . . . 0.0 109.21 168.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -68.28 -33.76 74.94 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 118.911 -0.566 . . . . 0.0 111.24 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m -56.12 -61.55 2.31 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.27 168.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.794 0 C-N-CA 125.421 1.486 . . . . 0.0 112.481 -178.589 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 . . . . . 0 CA--C 1.536 0.441 0 CA-C-O 122.383 1.087 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.0 p -153.77 150.19 28.23 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 127.568 2.347 . . . . 0.0 106.672 -169.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -149.88 150.21 31.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 118.25 0.477 . . . . 0.0 110.444 168.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 87.1 p -78.37 160.98 27.5 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.124 0.488 . . . . 0.0 110.932 -169.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -59.17 -44.95 92.15 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -172.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -70.8 -33.33 70.62 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 120.938 -1.101 . . . . 0.0 110.357 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -62.28 -38.47 89.49 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.648 0.658 . . . . 0.0 109.915 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.495 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.2 tm? -57.97 -50.98 71.53 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 170.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -54.78 -42.41 71.71 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 119.24 -0.984 . . . . 0.0 110.678 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -57.97 -48.86 78.71 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.156 0.583 . . . . 0.0 110.645 175.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -50.16 -51.83 40.4 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 123.645 0.778 . . . . 0.0 109.428 174.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.9 mt -62.9 -59.38 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.101 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -56.03 -36.27 67.79 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 119.038 -0.506 . . . . 0.0 112.112 -175.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.36 -53.84 6.26 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 118.649 0.659 . . . . 0.0 110.603 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -79.15 -53.07 7.35 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 122.025 -0.422 . . . . 0.0 110.159 -171.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mp . . . . . 0 CA--C 1.53 0.182 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 177.794 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 . . . . . 0 C--O 1.226 -0.171 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.03 -47.5 65.0 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.714 0.806 . . . . 0.0 111.207 175.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -66.45 -41.85 88.47 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 35.0 mm -57.37 -46.05 85.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 118.473 -0.775 . . . . 0.0 110.671 175.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.276 14.1 m -68.24 -36.43 75.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 120.21 1.368 . . . . 0.0 112.259 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -56.87 -52.78 63.78 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.139 0.881 . . . . 0.0 110.05 171.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 tt -54.49 -44.86 73.02 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.412 1.085 . . . . 0.0 111.197 176.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -61.89 -41.72 98.22 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.88 0.872 . . . . 0.0 109.711 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -59.57 -48.9 79.87 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 173.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -54.27 -50.42 67.28 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.392 0.277 . . . . 0.0 111.187 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mt -56.26 -58.02 9.75 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 122.982 0.513 . . . . 0.0 110.179 174.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -64.69 -24.8 67.69 Favored 'General case' 0 N--CA 1.461 0.12 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -172.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 . . . . . 0 CA--C 1.53 0.181 0 C-N-CA 124.122 0.969 . . . . 0.0 110.767 176.847 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 . . . . . 0 N--CA 1.457 -0.104 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 5.6 t -111.31 129.93 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 127.053 2.141 . . . . 0.0 106.576 174.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -90.18 148.54 22.89 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 169.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -40.97 -53.86 2.87 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.668 1.187 . . . . 0.0 114.122 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -63.33 -40.48 97.45 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 121.352 -0.843 . . . . 0.0 110.172 -172.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -70.14 -39.1 75.58 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -50.75 -51.23 52.19 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.569 0.622 . . . . 0.0 110.597 170.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 23.7 mm -58.22 -51.89 65.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 118.519 0.599 . . . . 0.0 110.307 176.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 44.3 m -48.16 -51.37 25.3 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.803 0.811 . . . . 0.0 110.428 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -63.11 -43.7 97.71 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 123.633 0.773 . . . . 0.0 110.361 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.0 mt -57.55 -34.81 69.55 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.945 1.248 . . . . 0.0 110.73 173.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.68 -50.5 64.87 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 169.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.09 -46.05 79.2 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 122.173 -0.604 . . . . 0.0 111.113 174.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.56 -48.34 74.91 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 125.265 1.426 . . . . 0.0 109.609 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.91 -53.84 50.28 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.244 0.618 . . . . 0.0 109.856 174.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 14.6 ttt -60.77 -34.12 73.99 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 122.057 -0.402 . . . . 0.0 112.022 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 62.5 mt -72.33 -42.74 65.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 125.492 1.517 . . . . 0.0 110.354 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -52.65 -47.8 66.85 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 170.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 71.46 -59.34 0.55 Allowed 'General case' 0 C--O 1.227 -0.086 0 C-N-CA 125.915 1.686 . . . . 0.0 113.79 167.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -48.67 -46.94 40.91 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.241 1.017 . . . . 0.0 109.597 176.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.23 -41.17 1.26 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.997 1.719 . . . . 0.0 113.145 173.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.87 -30.72 62.79 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.53 0.732 . . . . 0.0 110.693 -176.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -77.65 -44.57 27.71 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 174.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 116.85 -2.083 . . . . 0.0 111.186 177.412 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.447 -0.585 0 CA-C-O 117.858 -1.068 . . . . 0.0 113.742 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.07 -46.93 22.51 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 121.447 1.431 . . . . 0.0 112.897 -178.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.7 tp -80.49 -44.71 18.72 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 118.513 0.597 . . . . 0.0 109.491 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.68 -43.66 62.8 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.849 0.859 . . . . 0.0 110.961 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -61.27 -38.35 86.41 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.137 0.881 . . . . 0.0 110.872 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.94 -52.86 12.95 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 117.745 0.248 . . . . 0.0 110.342 -173.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.7 pt -57.61 -43.26 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 173.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.27 -44.05 20.01 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 125.092 1.329 . . . . 0.0 112.462 170.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -60.89 3.11 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.094 0.958 . . . . 0.0 109.83 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -51.14 -46.81 62.08 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.415 0.686 . . . . 0.0 110.034 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.54 -54.32 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 C-N-CA 123.603 0.761 . . . . 0.0 110.118 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.53 -49.85 66.76 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.291 -1.124 . . . . 0.0 110.291 -178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 mt -51.96 -53.2 18.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 175.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -58.06 -63.61 1.2 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.455 0.645 . . . . 0.0 111.196 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.61 -24.32 65.46 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -167.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -42.97 82.22 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 118.561 -1.256 . . . . 0.0 110.039 171.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -70.09 -39.25 75.66 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.491 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.9 p -60.99 -56.75 17.46 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 118.584 -1.246 . . . . 0.0 108.141 169.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.767 0 C-N-CA 126.945 2.212 . . . . 0.0 113.431 172.033 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 . . . . . 0 CA--C 1.543 0.686 0 N-CA-C 111.329 0.122 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.7 p -151.27 132.5 14.49 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 125.06 1.344 . . . . 0.0 109.897 -170.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 mp -108.59 143.88 37.04 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 167.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.1 p -77.31 155.03 32.29 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -54.15 -40.01 67.04 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -171.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -79.94 -29.65 39.75 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.297 -0.877 . . . . 0.0 111.529 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -61.72 -41.93 98.27 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.181 -0.949 . . . . 0.0 108.95 170.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.495 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.5 tm? -55.04 -50.44 69.07 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.733 0.413 . . . . 0.0 110.015 171.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -51.02 -48.62 61.4 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.259 -0.9 . . . . 0.0 111.026 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -54.76 -47.24 74.13 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 122.369 0.267 . . . . 0.0 111.283 177.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 tt -52.24 -53.35 44.78 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 123.725 0.81 . . . . 0.0 109.848 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.9 mt -62.7 -49.83 82.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -177.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -38.9 69.8 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.512 -176.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -74.54 -59.48 2.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.917 0.781 . . . . 0.0 110.489 172.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -60.45 -54.92 39.8 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 123.042 0.537 . . . . 0.0 112.426 -169.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.4 mt . . . . . 0 CA--C 1.531 0.217 0 CA-C-N 118.092 0.405 . . . . 0.0 110.968 -177.69 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 . . . . . 0 C--O 1.225 -0.22 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.97 -45.16 74.94 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.204 0.602 . . . . 0.0 111.283 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.05 -47.8 78.76 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 176.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 mm -54.21 -43.76 62.0 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.622 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.284 9.2 m -68.01 -37.82 78.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 120.471 1.487 . . . . 0.0 112.563 -178.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.74 -51.54 69.34 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.053 0.842 . . . . 0.0 109.854 172.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -55.97 -42.99 77.11 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.108 0.963 . . . . 0.0 111.333 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -61.65 -43.28 99.15 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.306 1.443 . . . . 0.0 109.474 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.01 -48.65 80.81 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.361 0.528 . . . . 0.0 109.59 174.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -54.83 -50.52 68.42 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 122.208 -0.308 . . . . 0.0 111.323 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -57.37 -57.19 13.74 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.407 0.683 . . . . 0.0 110.777 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -67.42 -22.2 65.53 Favored 'General case' 0 N--CA 1.457 -0.083 0 CA-C-O 118.221 -0.895 . . . . 0.0 112.862 -172.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -38.99 -37.84 0.4 Allowed 'General case' 0 C--N 1.344 0.331 0 C-N-CA 125.371 1.468 . . . . 0.0 110.812 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -23.06 -62.04 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.478 1.911 . . . . 0.0 113.28 165.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -147.17 24.69 1.14 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.653 1.181 . . . . 0.0 111.614 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.313 0.1 OUTLIER 63.91 -53.32 0.24 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 128.411 2.684 . . . . 0.0 115.1 -179.063 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -78.9 -40.35 32.49 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 121.301 -0.875 . . . . 0.0 110.559 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.69 152.3 51.74 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.412 1.085 . . . . 0.0 111.846 -173.367 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.1 p -103.07 130.23 53.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 125.252 1.421 . . . . 0.0 108.295 169.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.83 152.98 21.43 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.799 0.44 . . . . 0.0 110.117 176.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -42.76 -52.73 4.87 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.375 1.47 . . . . 0.0 113.838 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -60.11 -41.36 92.4 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 121.33 -0.856 . . . . 0.0 111.038 -176.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -72.61 -37.84 67.97 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -53.51 -54.06 42.65 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.613 0.642 . . . . 0.0 110.379 171.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 18.5 mm -56.1 -53.11 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.7 m -52.7 -47.68 67.09 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.143 0.497 . . . . 0.0 111.17 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -63.6 -43.16 97.73 Favored 'General case' 0 N--CA 1.446 -0.64 0 O-C-N 121.304 -0.873 . . . . 0.0 110.662 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.5 mt -57.72 -36.52 72.12 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.432 -0.793 . . . . 0.0 110.155 171.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.51 -42.53 95.99 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 121.949 -0.469 . . . . 0.0 112.168 169.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.67 -48.18 80.43 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 120.984 -1.304 . . . . 0.0 109.947 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.0 tp -53.32 -49.4 67.13 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.704 1.202 . . . . 0.0 109.746 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.453 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -58.57 -47.18 85.12 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.14 0.976 . . . . 0.0 110.994 177.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 55.3 ttp -62.83 -40.32 97.05 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.406 0.282 . . . . 0.0 110.78 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.0 mt -58.0 -48.73 83.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 172.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -71.51 41.78 0.07 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.821 0.849 . . . . 0.0 112.288 171.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -44.93 -32.33 1.58 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 127.132 2.173 . . . . 0.0 112.793 177.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.1 mp0 -47.88 -41.1 23.5 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.989 0.916 . . . . 0.0 110.506 175.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.03 -37.14 83.82 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.371 0.668 . . . . 0.0 111.746 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 35.1 mt . . . . . 0 CA--C 1.53 0.176 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 172.365 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.448 -0.572 0 CA-C-O 117.786 -1.102 . . . . 0.0 113.623 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.35 -55.16 3.33 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 121.979 1.786 . . . . 0.0 111.956 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 42.3 tp -68.63 -44.41 74.26 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.173 -0.955 . . . . 0.0 110.28 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -52.62 -48.34 66.4 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 122.733 0.413 . . . . 0.0 111.089 -175.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -60.23 -38.98 85.06 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.182 0.446 . . . . 0.0 110.616 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.06 -53.05 22.41 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 122.149 0.18 . . . . 0.0 111.039 -176.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 28.8 pt -57.21 -44.16 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 119.806 -0.758 . . . . 0.0 109.001 175.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.41 -45.38 22.28 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.903 1.24 . . . . 0.0 112.417 171.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.4 -60.22 4.13 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.177 0.991 . . . . 0.0 109.889 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mp -51.48 -47.57 63.13 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 123.256 0.623 . . . . 0.0 110.302 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.453 HD11 ' HB1' ' A' ' 81' ' ' ALA . 64.2 mt -60.44 -54.19 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 124.288 1.035 . . . . 0.0 110.05 -178.111 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.98 -50.06 63.57 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 124.701 1.143 . . . . 0.0 110.532 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -52.66 -58.04 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -53.21 -58.36 7.33 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.086 0.469 . . . . 0.0 111.229 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -26.42 60.69 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 119.851 -0.74 . . . . 0.0 112.218 -169.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -66.04 -42.14 89.97 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 118.865 -1.134 . . . . 0.0 109.277 173.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -63.09 -51.47 66.47 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.07 175.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 97.1 p -56.99 -44.56 82.86 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 120.046 1.294 . . . . 0.0 109.904 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.116 0 C-N-CA 126.582 2.039 . . . . 0.0 114.688 169.998 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 53.2 p -140.64 143.26 35.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.077 1.351 . . . . 0.0 108.984 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 71.0 mt -108.1 144.52 35.36 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 169.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.0 p -83.34 177.19 8.61 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.131 0.878 . . . . 0.0 110.557 170.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -64.92 -65.96 0.61 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.815 0.846 . . . . 0.0 111.772 -169.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.44 -29.5 70.56 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.727 -0.608 . . . . 0.0 110.436 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.19 -46.85 85.11 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.226 0.61 . . . . 0.0 111.002 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.56 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.6 tm? -55.07 -48.52 73.39 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 169.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -55.89 -41.61 74.74 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.499 -0.751 . . . . 0.0 110.972 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -56.11 -54.85 40.09 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.877 1.271 . . . . 0.0 110.067 173.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 tt -44.96 -55.45 5.49 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 124.276 1.03 . . . . 0.0 110.304 174.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.88 -51.91 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-O 119.336 -0.364 . . . . 0.0 110.428 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -37.61 81.6 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 118.413 0.551 . . . . 0.0 110.821 -174.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -55.12 6.26 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -74.21 -52.51 12.2 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.86 -0.525 . . . . 0.0 110.531 -171.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 22.4 mt . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 177.199 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.377 0.132 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.05 -46.46 53.12 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.522 0.729 . . . . 0.0 111.04 174.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -66.21 -42.25 89.02 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 44.0 mm -56.14 -49.72 74.45 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 CA-C-O 118.986 -0.53 . . . . 0.0 110.161 175.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 19.4 m -69.92 -32.71 52.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 119.492 1.042 . . . . 0.0 112.373 -177.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -60.49 -51.22 70.4 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.165 0.893 . . . . 0.0 109.803 170.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tt -54.49 -45.46 73.24 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.979 0.912 . . . . 0.0 110.889 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 56.6 ttp -57.6 -55.48 34.33 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.765 1.226 . . . . 0.0 109.066 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -48.68 -53.42 18.83 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.718 0.807 . . . . 0.0 109.9 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -55.57 -51.32 67.51 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.831 0.452 . . . . 0.0 110.981 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.408 HD21 ' CD2' ' B' ' 76' ' ' PHE . 9.8 mt -53.69 -54.17 41.63 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.864 0.466 . . . . 0.0 111.041 176.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -76.86 -30.91 56.47 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -169.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 . . . . . 0 N--CA 1.462 0.148 0 O-C-N 122.122 -0.361 . . . . 0.0 110.797 -176.276 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 4.1 t -79.51 109.28 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -78.05 144.83 36.27 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 119.009 0.822 . . . . 0.0 109.383 173.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -40.97 -51.89 3.18 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.737 1.215 . . . . 0.0 113.033 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -59.67 -46.07 90.15 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.6 0.714 . . . . 0.0 110.215 -175.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -69.01 -35.84 77.13 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.54 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -54.63 -53.01 60.3 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.804 0.442 . . . . 0.0 110.064 170.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 30.3 mm -57.49 -55.54 20.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 118.733 0.697 . . . . 0.0 110.219 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 53.5 m -48.73 -50.44 33.68 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.981 -0.449 . . . . 0.0 111.3 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.408 ' CD2' HD21 ' B' ' 60' ' ' LEU . 65.2 t80 -62.31 -42.72 99.61 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 123.066 0.546 . . . . 0.0 110.838 -179.086 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 79.8 mt -57.59 -36.97 72.44 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.517 1.053 . . . . 0.0 109.854 173.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.57 -50.18 64.71 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 168.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.13 -47.31 75.25 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.663 -0.904 . . . . 0.0 111.01 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.2 tp -56.03 -47.67 77.43 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.781 1.232 . . . . 0.0 109.976 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.02 -49.36 73.91 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.75 0.82 . . . . 0.0 110.647 174.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 14.8 tpt -57.72 -42.98 84.94 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.439 0.696 . . . . 0.0 111.59 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.71 -48.02 90.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 124.26 1.024 . . . . 0.0 109.557 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -54.38 -50.63 67.05 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 69.88 -52.73 0.63 Allowed 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 126.397 1.879 . . . . 0.0 114.791 168.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -49.25 -42.07 39.62 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 124.098 0.959 . . . . 0.0 109.6 169.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.48 -43.2 62.1 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.549 0.74 . . . . 0.0 111.676 172.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 17.4 mt -69.02 -57.05 5.97 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -59.07 -39.92 83.62 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.323 0.249 . . . . 0.0 111.634 -173.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 117.43 -1.761 . . . . 0.0 109.955 177.22 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 117.526 -1.226 . . . . 0.0 111.829 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -39.48 -51.83 2.65 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 124.26 3.307 . . . . 0.0 115.489 171.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -72.03 -48.52 43.93 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 118.79 -1.164 . . . . 0.0 109.85 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -52.36 -46.01 65.96 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.856 0.462 . . . . 0.0 111.101 -176.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -64.89 -37.69 88.49 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 122.05 -0.406 . . . . 0.0 111.115 178.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.16 -54.53 28.29 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.866 -0.521 . . . . 0.0 111.012 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.8 pt -57.02 -43.06 80.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.2 -47.02 10.7 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 125.326 1.441 . . . . 0.0 112.601 170.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.67 -59.86 4.4 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.13 0.965 . . . . 0.0 109.861 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -52.23 -47.15 65.85 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.363 0.665 . . . . 0.0 110.237 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.4 mt -62.75 -51.16 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 122.783 0.433 . . . . 0.0 110.115 -177.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.06 -52.31 50.02 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.9 mt -52.92 -54.18 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -53.15 -63.85 1.01 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.94 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -71.89 -22.14 61.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 118.824 -0.608 . . . . 0.0 112.523 -169.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -59.8 -55.72 30.74 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 169.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -63.07 -36.31 83.17 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 119.06 -0.495 . . . . 0.0 111.442 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.4 m -57.94 -59.12 5.74 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 119.271 0.941 . . . . 0.0 109.944 170.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 C-N-CA 125.687 1.613 . . . . 0.0 111.93 -177.704 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 . . . . . 0 CA--C 1.538 0.489 0 CA-C-O 120.77 0.319 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.6 p -143.63 158.17 43.87 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.37 1.068 . . . . 0.0 109.257 175.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.7 mt -123.25 130.9 53.37 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 124.429 1.092 . . . . 0.0 108.201 169.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.8 t -81.88 170.21 15.92 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.447 0.641 . . . . 0.0 110.611 169.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -58.11 9.28 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.211 1.404 . . . . 0.0 113.207 -169.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.6 -30.24 65.58 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.846 -0.534 . . . . 0.0 110.3 -176.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -63.16 -46.48 86.97 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.752 -0.592 . . . . 0.0 109.499 174.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.476 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.3 tm? -55.8 -48.75 74.85 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 172.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -53.31 -46.8 69.55 Favored 'General case' 0 C--O 1.224 -0.276 0 O-C-N 121.189 -0.944 . . . . 0.0 110.223 175.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.55 -46.09 80.87 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.807 0.731 . . . . 0.0 110.923 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 tt -51.36 -53.35 37.27 Favored 'General case' 0 CA--C 1.522 -0.111 0 C-N-CA 123.61 0.764 . . . . 0.0 109.711 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.2 mt -62.93 -52.31 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.42 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -52.64 -39.14 61.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.517 0.727 . . . . 0.0 111.098 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tpmt? -72.58 -60.47 2.22 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.791 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -68.79 -58.66 3.88 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.664 0.386 . . . . 0.0 110.757 -169.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 C--N 1.33 -0.268 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 177.637 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 CA--C 1.534 0.363 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.21 -45.24 79.96 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.925 0.393 . . . . 0.0 111.44 173.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -63.86 -45.49 89.25 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 174.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 mm -55.13 -42.81 67.27 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.297 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.9 m -65.9 -39.7 85.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 120.492 1.496 . . . . 0.0 112.497 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -59.51 -51.83 68.17 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.843 0.747 . . . . 0.0 109.693 173.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 tt -53.67 -43.87 69.2 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.974 0.91 . . . . 0.0 111.299 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -63.11 -42.89 99.64 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.452 1.101 . . . . 0.0 109.419 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.25 -48.09 81.51 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 172.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -59.72 -36.46 76.6 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 122.025 -0.422 . . . . 0.0 111.922 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mt -65.56 -62.43 1.52 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.536 0.734 . . . . 0.0 109.948 170.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -60.75 -24.21 65.54 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 123.812 0.845 . . . . 0.0 113.226 -172.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.4 ttp-105 -27.17 -50.71 0.05 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 127.439 2.295 . . . . 0.0 111.278 168.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -38.0 -53.53 1.36 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.566 1.546 . . . . 0.0 113.65 176.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? -149.41 49.07 0.96 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.274 0.63 . . . . 0.0 109.466 -174.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 p30 46.92 -78.49 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.618 2.367 . . . . 0.0 114.552 171.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -66.22 -31.79 72.82 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 125.567 1.547 . . . . 0.0 111.388 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -141.66 164.99 28.71 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -172.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.8 p -116.73 139.79 42.03 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 125.523 1.529 . . . . 0.0 107.493 168.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -92.86 153.54 18.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.043 0.937 . . . . 0.0 109.956 175.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -39.47 -53.51 2.04 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.885 1.674 . . . . 0.0 113.655 177.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -58.38 -46.57 86.1 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.511 -0.743 . . . . 0.0 110.228 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -72.36 -31.96 66.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.421 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -56.35 -50.61 71.02 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 168.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.9 mm -57.78 -54.45 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-N 118.578 0.626 . . . . 0.0 110.23 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.4 m -49.71 -49.07 49.24 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.578 0.627 . . . . 0.0 111.191 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -61.08 -45.41 94.84 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 122.564 0.346 . . . . 0.0 110.443 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.48 -34.72 71.2 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.77 0.714 . . . . 0.0 110.515 173.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.31 -51.69 57.08 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 169.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.31 -46.36 72.79 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.875 -0.779 . . . . 0.0 110.38 175.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 tp -60.69 -42.48 97.24 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.635 0.774 . . . . 0.0 110.659 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.478 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -59.44 -39.57 83.97 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 121.654 -0.653 . . . . 0.0 110.821 174.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -61.48 -50.33 73.16 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 122.068 -0.395 . . . . 0.0 109.978 170.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.9 mm -52.39 -41.59 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 124.154 0.981 . . . . 0.0 110.987 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.1 m-30 -51.1 -37.05 43.63 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.025 0.375 . . . . 0.0 111.022 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 35.5 t30 68.84 -64.58 0.32 Allowed 'General case' 0 C--N 1.34 0.174 0 C-N-CA 127.259 2.224 . . . . 0.0 112.442 172.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -49.29 -41.21 37.41 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.096 1.358 . . . . 0.0 110.387 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.71 -37.34 65.74 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.905 0.882 . . . . 0.0 112.266 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 C--N 1.339 0.111 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 175.903 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 118.34 -0.838 . . . . 0.0 113.157 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -59.42 -41.04 61.67 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 121.604 1.536 . . . . 0.0 114.47 -171.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 66.0 tp -81.02 -45.45 16.55 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.157 0.435 . . . . 0.0 110.276 171.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -52.46 -41.93 63.74 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 119.301 -0.38 . . . . 0.0 111.501 -175.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -58.11 -40.99 82.59 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.534 0.606 . . . . 0.0 110.888 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.94 -53.2 15.85 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 121.882 -0.511 . . . . 0.0 110.503 -174.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 35.5 pt -57.69 -42.26 81.22 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.109 173.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.58 -43.59 15.6 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 125.42 1.486 . . . . 0.0 112.44 170.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -59.52 5.21 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 118.159 0.979 . . . . 0.0 109.842 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -51.66 -47.14 63.89 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 123.125 0.57 . . . . 0.0 110.394 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.478 HD11 ' HB1' ' A' ' 81' ' ' ALA . 53.8 mt -61.68 -51.97 66.41 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.41 -53.23 39.52 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 9.0 mt -49.94 -60.86 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 175.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -51.43 -51.02 58.41 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.029 0.442 . . . . 0.0 111.65 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -72.44 -28.86 63.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.472 -170.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -62.51 -55.74 24.61 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 169.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -61.86 -44.63 96.43 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -174.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.9 p -67.85 -46.51 71.54 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.3 -0.875 . . . . 0.0 109.722 174.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.829 0 C-N-CA 124.34 0.971 . . . . 0.0 112.229 174.564 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 . . . . . 0 CA--C 1.538 0.497 0 CA-C-O 121.744 0.783 . . . . 0.0 109.906 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 15.9 p -144.52 136.98 26.53 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 126.978 2.111 . . . . 0.0 106.789 -169.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 65.5 mt -99.58 152.0 20.53 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 168.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 87.6 p -88.49 159.9 17.75 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 166.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -48.51 -48.05 38.52 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.297 1.039 . . . . 0.0 113.167 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -78.69 -31.57 46.66 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.698 -0.626 . . . . 0.0 110.909 -177.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -61.07 -42.15 97.96 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.429 -0.794 . . . . 0.0 109.583 171.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.552 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.7 tm? -56.85 -50.09 73.5 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 172.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -53.11 -44.92 68.01 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.236 0.926 . . . . 0.0 110.799 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -55.42 -50.69 69.14 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 117.883 0.31 . . . . 0.0 110.297 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tt -49.68 -53.77 22.57 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 124.075 0.95 . . . . 0.0 110.5 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 44.9 mt -61.78 -55.21 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 O-C-N 121.965 -0.459 . . . . 0.0 110.436 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -58.1 -39.9 79.82 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.62 0.646 . . . . 0.0 110.957 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -81.12 -37.57 28.66 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -174.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -81.27 -68.2 0.71 Allowed 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.777 0.798 . . . . 0.0 109.569 172.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.2 mt . . . . . 0 C--N 1.329 -0.318 0 C-N-CA 124.816 1.246 . . . . 0.0 108.774 -173.661 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 CA--C 1.533 0.306 0 CA-C-O 119.385 -0.34 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.69 -48.69 69.26 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.327 0.512 . . . . 0.0 111.47 169.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.32 -45.47 93.07 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 27.7 mm -55.92 -40.29 61.77 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.305 0 CA-C-O 117.972 -1.013 . . . . 0.0 111.31 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.254 8.5 m -68.04 -37.71 78.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 120.735 1.607 . . . . 0.0 112.41 177.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -59.81 -52.29 66.1 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.111 0.869 . . . . 0.0 109.546 173.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.19 -44.03 71.23 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.153 0.581 . . . . 0.0 111.048 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -62.83 -40.89 98.79 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.196 0.998 . . . . 0.0 109.547 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -58.29 -48.73 79.57 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 173.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -62.22 -32.44 73.1 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mt -66.54 -71.32 0.2 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 168.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . 0.268 5.1 p-10 -55.35 -25.62 36.05 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 125.173 1.389 . . . . 0.0 113.983 -169.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 51.7 ttp85 . . . . . 0 CA--C 1.533 0.315 0 C-N-CA 125.197 1.399 . . . . 0.0 111.217 169.035 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 3.6 t -118.27 108.64 24.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 125.172 1.389 . . . . 0.0 108.563 171.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -79.9 143.86 33.9 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.36 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -39.76 -60.4 1.0 Allowed 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -171.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -58.11 -35.66 71.77 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.278 -0.888 . . . . 0.0 111.28 -177.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -76.28 -36.07 58.58 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -55.74 -52.55 63.54 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 168.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 26.8 mm -55.61 -53.24 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 93.2 m -51.37 -48.8 62.39 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.88 0.472 . . . . 0.0 111.136 178.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -62.58 -41.92 99.24 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.988 -0.53 . . . . 0.0 110.51 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 71.2 mt -57.53 -34.23 68.92 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.68 1.127 . . . . 0.0 110.466 173.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.11 -52.08 54.57 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 168.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.35 -39.53 67.19 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.433 -1.039 . . . . 0.0 111.507 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 14.0 tp -65.58 -42.53 91.62 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.999 0.92 . . . . 0.0 110.015 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.38 -45.38 80.57 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.117 0.567 . . . . 0.0 110.169 170.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 33.9 ttp -64.08 -32.74 74.41 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.638 -0.664 . . . . 0.0 112.329 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 65.2 mt -71.25 -41.53 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 124.146 0.978 . . . . 0.0 110.625 174.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 5.6 m-30 -53.28 -46.17 69.19 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 169.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 72.58 -61.01 0.51 Allowed 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 126.511 1.925 . . . . 0.0 113.369 167.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -50.7 -43.3 57.71 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.654 0.782 . . . . 0.0 109.558 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.04 -45.75 16.22 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.939 0.896 . . . . 0.0 111.927 173.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 11.1 mt -66.82 -25.59 66.51 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-O 119.187 -0.435 . . . . 0.0 111.719 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -75.11 -53.84 8.16 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 174.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 117.314 -1.825 . . . . 0.0 110.179 173.193 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 CA--C 1.539 0.545 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -59.61 -43.01 42.07 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 121.852 1.701 . . . . 0.0 112.582 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -80.01 -44.49 20.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -50.22 -46.15 54.4 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.338 0.655 . . . . 0.0 110.591 -176.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -63.12 -34.45 77.64 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.872 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.59 -50.66 23.89 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.66 -0.65 . . . . 0.0 110.868 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.7 pt -59.02 -40.21 80.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 119.769 -0.773 . . . . 0.0 109.273 172.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.52 -45.96 37.4 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 125.017 1.294 . . . . 0.0 112.25 170.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -61.56 2.43 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.242 1.021 . . . . 0.0 109.63 178.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.47 ' CD2' HD13 ' A' ' 77' ' ' LEU . 7.4 mt -48.69 -48.85 39.79 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.417 1.087 . . . . 0.0 111.255 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mm -59.73 -55.45 23.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.399 1.08 . . . . 0.0 109.64 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.53 -47.57 87.31 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 125.111 1.339 . . . . 0.0 110.148 -176.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -55.1 -57.96 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 175.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 42.4 t80 -54.07 -54.1 44.06 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.001 0.429 . . . . 0.0 110.622 -173.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -69.6 -28.75 66.21 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.695 -0.669 . . . . 0.0 112.135 -173.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -57.09 -55.01 40.2 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.234 0.925 . . . . 0.0 108.703 169.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -63.18 -54.0 44.37 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-O 118.913 -0.565 . . . . 0.0 111.098 -178.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.2 m -49.83 -48.35 50.95 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.737 1.153 . . . . 0.0 111.241 174.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.828 0 C-N-CA 124.691 1.139 . . . . 0.0 111.802 177.683 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 . . . . . 0 CA--C 1.531 0.226 0 CA-C-O 121.213 0.53 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.1 m -146.79 154.52 41.46 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 4.6 tt -148.28 135.78 20.59 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -167.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.5 t -79.58 164.94 23.44 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.994 0.816 . . . . 0.0 112.613 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -71.98 -51.95 19.44 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -169.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -62.85 -36.5 83.45 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 120.64 -1.288 . . . . 0.0 109.525 177.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -62.51 -43.55 98.53 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 121.971 -0.455 . . . . 0.0 110.943 174.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.555 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.7 tm? -52.8 -46.93 67.87 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 171.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -55.5 -45.13 77.08 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 119.194 -1.003 . . . . 0.0 110.491 176.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.27 -49.58 73.81 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.506 0.594 . . . . 0.0 110.775 175.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 tt -48.0 -51.53 23.53 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 124.306 1.042 . . . . 0.0 109.602 174.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.6 mt -60.7 -57.77 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-O 119.405 -0.331 . . . . 0.0 110.218 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -54.73 -37.47 65.95 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.159 0.436 . . . . 0.0 112.003 -175.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -79.98 -56.01 4.55 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 117.968 0.349 . . . . 0.0 110.94 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -80.8 -48.46 12.43 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.654 0.382 . . . . 0.0 110.835 -170.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 176.021 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 C--O 1.227 -0.108 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.86 -46.67 71.35 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.489 0.716 . . . . 0.0 111.141 175.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -65.82 -43.02 89.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.3 mm -56.91 -43.22 80.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 CA-C-O 118.084 -0.96 . . . . 0.0 111.404 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 m -69.28 -33.36 57.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 120.583 1.538 . . . . 0.0 112.374 179.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -59.5 -52.01 67.42 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.156 0.889 . . . . 0.0 109.477 170.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.64 -42.33 74.84 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.894 0.878 . . . . 0.0 111.434 176.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.7 ttp -58.13 -51.66 68.78 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.745 1.218 . . . . 0.0 108.431 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -53.5 -50.05 66.22 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -54.04 -51.88 62.64 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.034 0.379 . . . . 0.0 111.595 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.8 mt -53.8 -58.43 7.27 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.354 0.662 . . . . 0.0 110.862 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -68.59 -30.91 69.76 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 118.908 -0.568 . . . . 0.0 112.381 -172.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -46.94 -45.39 20.7 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 123.636 0.774 . . . . 0.0 110.6 -175.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -30.47 43.78 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.56 0.744 . . . . 0.0 112.668 -176.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -132.85 42.56 3.06 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.011 0.924 . . . . 0.0 109.553 172.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 p30 38.05 -85.94 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 127.559 2.344 . . . . 0.0 115.369 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -69.87 -31.55 69.44 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.193 1.397 . . . . 0.0 111.53 -175.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -130.59 177.93 7.0 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.175 0.99 . . . . 0.0 109.578 -172.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.7 p -124.29 129.43 74.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 166.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -85.29 151.01 24.38 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -45.08 -51.61 9.99 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.561 0.745 . . . . 0.0 112.968 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -58.29 -46.46 86.06 Favored 'General case' 0 CA--C 1.53 0.205 0 O-C-N 121.83 -0.544 . . . . 0.0 110.008 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -67.19 -37.34 83.51 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.241 0.616 . . . . 0.0 110.296 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -54.78 -53.65 52.36 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.496 0.718 . . . . 0.0 110.196 170.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.438 HG21 ' CA ' ' B' ' 78' ' ' GLY . 17.2 mm -59.63 -48.21 88.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 118.712 0.687 . . . . 0.0 110.397 178.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.0 m -50.58 -51.72 45.71 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.52 0.676 . . . . 0.0 109.913 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -60.94 -45.47 94.59 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.61 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 12' ' ' LEU . 74.2 mt -57.34 -37.95 73.35 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.274 0.943 . . . . 0.0 110.658 175.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.73 -52.18 50.16 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 169.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.31 -42.9 78.33 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.253 -0.557 . . . . 0.0 111.449 175.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.3 tp -57.91 -49.38 76.95 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.835 1.254 . . . . 0.0 109.672 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.57 -48.8 76.57 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.202 0.601 . . . . 0.0 110.133 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 41.3 ttp -61.1 -38.57 86.76 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 122.771 0.428 . . . . 0.0 111.686 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.0 mt -68.64 -44.12 82.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 124.972 1.309 . . . . 0.0 109.883 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -52.73 -48.97 66.32 Favored 'General case' 0 C--N 1.34 0.167 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 171.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 71.51 -58.67 0.57 Allowed 'General case' 0 N--CA 1.461 0.091 0 C-N-CA 126.185 1.794 . . . . 0.0 113.651 167.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -45.91 -49.05 16.06 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.553 1.141 . . . . 0.0 109.175 172.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -39.42 -43.88 1.28 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.777 1.631 . . . . 0.0 112.819 173.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 42.1 mt . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.887 0.375 . . . . 0.0 110.385 -179.325 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -63.1 -34.52 69.23 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 CA-C-N 120.896 1.356 . . . . 0.0 113.426 -169.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 44.9 tp -82.26 -46.05 14.2 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.766 0.712 . . . . 0.0 110.751 169.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -50.43 -43.2 54.91 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.05 0.54 . . . . 0.0 111.106 -175.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -56.04 -42.44 76.55 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.186 0.448 . . . . 0.0 111.474 176.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.24 -53.44 16.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.785 -0.572 . . . . 0.0 110.514 -174.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 20.5 pt -58.53 -40.69 79.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 119.774 -0.77 . . . . 0.0 108.984 174.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.82 -43.17 29.99 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 125.389 1.471 . . . . 0.0 112.271 170.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.98 -59.05 6.05 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.456 1.128 . . . . 0.0 109.655 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -51.19 -47.72 62.14 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 123.163 0.585 . . . . 0.0 110.431 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.41 -47.57 92.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.469 0.708 . . . . 0.0 109.941 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.27 -52.79 50.51 Favored Glycine 0 CA--C 1.521 0.427 0 C-N-CA 124.75 1.167 . . . . 0.0 110.232 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.3 mt -51.35 -60.74 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 107.715 -1.216 . . . . 0.0 107.715 174.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -48.14 -59.28 3.52 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.713 -175.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -74.92 -21.98 58.88 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 119.332 -0.366 . . . . 0.0 111.633 -170.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -60.97 -51.48 69.08 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 168.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -61.14 -46.99 88.28 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.83 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.3 p -61.65 -51.28 69.09 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.204 0.911 . . . . 0.0 110.118 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.853 0 C-N-CA 125.609 1.576 . . . . 0.0 112.536 176.727 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 22.6 m170 . . . . . 0 CA--C 1.541 0.607 0 CA-C-O 121.015 0.436 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 14.3 t -155.79 161.62 40.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.949 1.3 . . . . 0.0 108.096 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 62.8 mt -127.51 158.77 36.54 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.768 1.627 . . . . 0.0 108.116 172.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 60.5 p -100.04 172.54 7.14 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.653 1.181 . . . . 0.0 110.247 171.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -58.44 -57.37 13.24 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -169.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -78.93 -24.62 43.9 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.814 -0.554 . . . . 0.0 110.429 -174.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -62.83 -46.83 86.1 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 169.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.531 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.9 tm? -59.95 -47.99 83.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 172.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -50.26 -47.72 55.06 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.48 -0.763 . . . . 0.0 109.761 175.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -56.4 -50.56 71.27 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.635 0.774 . . . . 0.0 111.085 176.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tt -46.37 -55.28 7.56 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 123.119 0.567 . . . . 0.0 110.114 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 69.6 mt -58.63 -55.64 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-O 119.037 -0.506 . . . . 0.0 110.414 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -62.01 -34.6 76.5 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 119.411 1.005 . . . . 0.0 112.028 -174.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -79.72 -39.52 30.97 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.648 0.658 . . . . 0.0 111.288 -176.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -80.33 -58.2 3.24 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.334 0.516 . . . . 0.0 110.647 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 CA--C 1.534 0.358 0 C-N-CA 126.863 2.065 . . . . 0.0 108.4 -176.514 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 N--CA 1.463 0.217 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.08 -44.89 67.89 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.491 0.662 . . . . 0.0 110.73 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -68.97 -40.01 79.11 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 36.3 mm -56.99 -49.33 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-O 118.43 -0.795 . . . . 0.0 110.866 174.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.4 m -65.03 -37.76 81.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 120.199 1.363 . . . . 0.0 111.506 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -58.04 -49.73 75.86 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.885 0.766 . . . . 0.0 110.284 171.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tt -57.27 -42.86 82.4 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.496 -0.753 . . . . 0.0 111.187 177.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -59.86 -45.99 90.71 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.168 0.987 . . . . 0.0 109.489 176.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -55.48 -52.02 65.05 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -60.12 -28.49 67.91 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.295 -0.878 . . . . 0.0 112.74 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mt -68.83 -58.83 3.62 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.637 0.775 . . . . 0.0 110.524 171.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 40.2 p30 -71.45 -26.18 62.62 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -172.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 . . . . . 0 N--CA 1.461 0.109 0 C-N-CA 126.937 2.095 . . . . 0.0 111.388 175.371 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 32.7 t -114.73 111.73 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 104.678 -2.342 . . . . 0.0 104.678 168.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -80.5 149.58 29.98 Favored 'General case' 0 C--N 1.332 -0.156 0 O-C-N 121.223 -0.923 . . . . 0.0 109.56 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -41.56 -55.79 2.77 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -59.48 -43.73 93.22 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 121.621 -0.674 . . . . 0.0 109.758 -175.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -68.39 -37.12 80.08 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.14 0.576 . . . . 0.0 110.182 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -55.11 -53.88 50.21 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.131 0.573 . . . . 0.0 110.148 170.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 23.3 mm -58.14 -51.39 71.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 118.602 0.637 . . . . 0.0 110.081 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 64.5 m -51.4 -51.37 55.34 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.553 0.741 . . . . 0.0 110.28 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -61.15 -45.03 96.3 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.408 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 38.8 mt -56.93 -35.08 68.64 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.096 0.862 . . . . 0.0 110.733 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' GLY . . . . . 0.438 ' CA ' HG21 ' A' ' 74' ' ' ILE . . . -56.53 -53.66 41.86 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 169.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.02 -44.26 70.79 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 117.104 0.452 . . . . 0.0 111.417 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 tp -58.57 -48.55 80.55 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.176 0.99 . . . . 0.0 109.98 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.58 -37.39 75.68 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.975 0.91 . . . . 0.0 110.335 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 13.2 ttt -71.04 -41.22 71.1 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.462 0.705 . . . . 0.0 111.81 175.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.29 -37.9 65.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -71.97 61.86 0.43 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.164 0.507 . . . . 0.0 110.787 169.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -46.77 -39.17 11.25 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 125.457 1.503 . . . . 0.0 112.711 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -50.24 -43.32 52.95 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.076 0.55 . . . . 0.0 111.355 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.55 80.55 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.908 0.483 . . . . 0.0 110.073 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 62.6 mt -54.41 -47.52 72.66 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.193 0.521 . . . . 0.0 110.312 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -64.96 -47.3 78.11 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.733 1.213 . . . . 0.0 110.426 -175.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.315 0 CA-C-O 117.437 -1.757 . . . . 0.0 111.225 -175.303 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.87 -45.87 29.92 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.115 2.543 . . . . 0.0 111.886 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.3 tp -72.1 -46.41 56.83 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.127 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -51.47 -50.98 58.77 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 122.895 0.478 . . . . 0.0 110.587 -176.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -62.82 -36.96 84.89 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.35 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.6 -53.33 43.16 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 118.533 0.606 . . . . 0.0 111.502 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.8 pt -57.37 -44.08 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.53 -44.18 16.07 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 125.366 1.46 . . . . 0.0 112.657 170.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.18 -60.22 4.21 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.208 1.004 . . . . 0.0 109.754 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -52.05 -46.55 65.15 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.284 0.634 . . . . 0.0 110.17 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.46 HD11 ' HB1' ' B' ' 81' ' ' ALA . 65.2 mt -61.55 -50.07 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 123.1 0.56 . . . . 0.0 109.891 -178.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.31 -53.88 42.17 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mt -50.22 -52.8 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -55.1 -60.56 3.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.949 0.404 . . . . 0.0 111.322 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -66.85 -26.55 66.96 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 118.681 -0.676 . . . . 0.0 112.549 -169.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -55.56 -55.7 28.88 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.082 0.855 . . . . 0.0 109.224 169.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -67.93 -39.14 83.56 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 119.144 -0.455 . . . . 0.0 111.56 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -57.28 -52.93 63.37 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.262 0.937 . . . . 0.0 109.971 172.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.697 0 C-N-CA 124.571 1.082 . . . . 0.0 111.395 177.646 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.0 m170 . . . . . 0 CA--C 1.537 0.451 0 CA-C-O 121.148 0.499 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.0 m -154.13 152.84 30.88 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.328 1.451 . . . . 0.0 108.037 -173.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.2 mt -127.67 138.08 52.7 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 124.908 1.283 . . . . 0.0 107.862 170.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.8 t -79.4 150.3 31.38 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.534 0.606 . . . . 0.0 109.712 169.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -50.96 -47.94 61.16 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.747 1.219 . . . . 0.0 113.058 -169.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -70.92 -32.4 69.32 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.753 -0.592 . . . . 0.0 110.859 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.97 -41.88 86.1 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.558 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.8 tm? -55.68 -48.64 74.73 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 170.26 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -56.01 -43.76 78.03 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.047 -1.033 . . . . 0.0 110.323 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -56.2 -49.24 74.63 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.788 0.435 . . . . 0.0 110.904 175.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tt -49.43 -52.69 27.16 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.042 0.937 . . . . 0.0 109.59 174.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 50.2 mt -61.92 -55.77 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.371 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -54.16 -41.59 68.66 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 119.465 -0.302 . . . . 0.0 111.38 -176.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.0 -54.41 6.06 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 118.117 0.417 . . . . 0.0 110.646 -177.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -77.16 -52.45 9.24 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -171.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 N--CA 1.451 -0.412 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 -179.565 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 . . . . . 0 CA--C 1.53 0.2 0 CA-C-O 119.369 -0.348 . . . . 0.0 111.631 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.28 -49.44 69.59 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.353 0.597 . . . . 0.0 110.735 171.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.57 -42.32 99.47 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 176.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.43 -43.52 77.92 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 CA-C-O 117.881 -1.057 . . . . 0.0 111.387 175.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.264 10.5 m -71.3 -32.72 47.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 120.902 1.683 . . . . 0.0 112.716 178.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -59.03 -51.52 69.72 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.6 1.091 . . . . 0.0 109.487 169.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tt -54.63 -42.08 70.81 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.339 1.056 . . . . 0.0 111.196 175.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 55.9 ttp -59.87 -48.17 82.77 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.081 0.952 . . . . 0.0 108.531 177.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -55.38 -48.89 73.62 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 175.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -55.06 -50.61 68.7 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.881 0.309 . . . . 0.0 111.654 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.2 mt -56.93 -58.66 7.18 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.101 0.56 . . . . 0.0 110.332 175.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.38 -19.0 63.83 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.96 0.904 . . . . 0.0 113.39 -171.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -42.0 -38.89 1.74 Allowed 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.651 1.18 . . . . 0.0 110.674 174.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -25.99 -55.76 0.07 Allowed 'General case' 0 C--N 1.341 0.201 0 C-N-CA 126.744 2.018 . . . . 0.0 113.173 167.185 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -161.91 64.06 0.24 Allowed 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 34.64 -64.66 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 130.452 3.501 . . . . 0.0 117.163 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -75.81 -25.14 56.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 124.924 1.29 . . . . 0.0 111.015 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -142.96 156.1 44.81 Favored 'General case' 0 C--N 1.343 0.306 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -170.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.6 p -113.16 130.01 67.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 126.557 1.943 . . . . 0.0 109.166 169.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.53 155.96 23.06 Favored 'General case' 0 C--N 1.34 0.186 0 CA-C-N 118.29 0.496 . . . . 0.0 110.21 176.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -45.2 -55.23 6.01 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -177.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -65.47 -38.71 90.58 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 118.984 -1.087 . . . . 0.0 110.389 -174.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.65 -34.26 76.58 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.839 -0.538 . . . . 0.0 110.952 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -55.88 -51.57 67.09 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.332 0.515 . . . . 0.0 110.045 168.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.8 mm -57.91 -50.44 77.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-N 118.609 0.641 . . . . 0.0 110.436 177.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.4 m -51.8 -47.49 64.24 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.324 1.05 . . . . 0.0 110.561 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -64.28 -44.44 91.7 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.154 178.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.6 mt -55.99 -33.14 64.56 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.335 0.97 . . . . 0.0 110.675 173.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.11 -49.56 71.05 Favored Glycine 0 CA--C 1.533 1.195 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 168.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.23 -44.13 83.51 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 121.624 -0.927 . . . . 0.0 110.939 173.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 tp -58.92 -44.71 91.37 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.584 0.754 . . . . 0.0 110.119 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.432 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -57.62 -47.78 81.25 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.481 0.712 . . . . 0.0 110.551 172.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.9 ttt -58.79 -37.9 77.37 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 122.017 -0.427 . . . . 0.0 111.576 177.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.6 mt -70.96 -42.25 77.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 125.01 1.324 . . . . 0.0 110.697 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -51.49 -50.31 60.14 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 170.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 72.06 -59.06 0.57 Allowed 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 126.245 1.818 . . . . 0.0 113.445 168.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -51.54 -41.33 61.0 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.792 0.837 . . . . 0.0 109.884 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.46 -41.2 6.11 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.642 1.177 . . . . 0.0 112.423 173.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 51.1 mt . . . . . 0 CA--C 1.53 0.21 0 C-N-CA 123.441 0.696 . . . . 0.0 110.349 179.548 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.46 -37.24 97.92 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 122.941 2.427 . . . . 0.0 112.773 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 53.8 tp -80.18 -46.8 15.73 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -49.55 -47.1 49.35 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 123.033 0.533 . . . . 0.0 110.82 -176.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -60.75 -37.89 83.32 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.29 -52.05 25.75 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 121.585 -0.697 . . . . 0.0 110.677 -177.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.6 pt -58.33 -42.78 84.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 119.61 -0.836 . . . . 0.0 108.984 174.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.92 -43.81 17.39 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 125.447 1.499 . . . . 0.0 112.138 170.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -59.33 5.59 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.167 0.983 . . . . 0.0 110.18 178.318 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -52.07 -46.31 65.09 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.152 0.581 . . . . 0.0 110.21 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.432 HD11 ' HB1' ' A' ' 81' ' ' ALA . 63.1 mt -62.1 -50.84 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.104 0.562 . . . . 0.0 109.769 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.8 -53.52 38.98 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 9.9 mt -50.7 -56.24 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 175.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -49.31 -54.98 14.37 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 117.958 0.345 . . . . 0.0 110.58 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -73.33 -16.71 61.36 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -173.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -61.76 -50.66 71.48 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 120.53 1.514 . . . . 0.0 108.552 168.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -71.87 -56.37 5.84 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.739 0.816 . . . . 0.0 109.282 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 55.8 m -74.61 60.6 0.91 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.57 1.148 . . . . 0.0 109.154 167.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.529 0 N-CA-C 104.782 -3.327 . . . . 0.0 104.782 179.6 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 41.8 m80 . . . . . 0 CA--C 1.534 0.341 0 CA-C-O 121.181 0.515 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 77.5 p -134.74 148.2 50.21 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 126.323 1.849 . . . . 0.0 107.238 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 tt -129.56 125.8 37.06 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 107.329 -1.359 . . . . 0.0 107.329 -176.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 92.3 p -78.96 160.72 27.1 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -169.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.66 -51.6 62.65 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.157 0.983 . . . . 0.0 112.181 -173.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -71.72 -42.43 67.32 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.064 -1.023 . . . . 0.0 110.357 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -57.68 -37.46 73.47 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.845 -0.535 . . . . 0.0 110.098 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.481 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.5 tm? -58.16 -50.01 75.02 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 121.821 -0.549 . . . . 0.0 109.627 173.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -54.11 -42.13 69.09 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.479 176.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -57.82 -50.45 73.23 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.217 0.207 . . . . 0.0 110.765 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 tt -50.07 -54.14 22.4 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.034 0.933 . . . . 0.0 109.423 176.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 50.4 mt -59.76 -59.37 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 118.939 -0.553 . . . . 0.0 110.149 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -52.46 -39.85 61.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 119.147 0.885 . . . . 0.0 111.071 -178.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -72.97 -53.16 11.93 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -81.51 -64.83 1.1 Allowed 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 122.163 0.982 . . . . 0.0 109.648 177.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 98.2 mt . . . . . 0 C--N 1.325 -0.475 0 C-N-CA 123.581 0.752 . . . . 0.0 109.308 -174.059 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.58 -46.07 63.34 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 123.749 0.656 . . . . 0.0 110.662 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.7 mp0 -66.23 -45.5 80.45 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 9.1 mm -57.72 -45.47 86.82 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.524 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 19.0 m -72.12 -33.03 45.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 120.337 1.426 . . . . 0.0 112.416 -177.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -59.33 -55.36 35.8 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.272 0.942 . . . . 0.0 109.493 169.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 tt -54.17 -45.1 72.0 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.229 0.612 . . . . 0.0 111.074 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 35.8 ttp -57.95 -49.74 75.76 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.881 1.272 . . . . 0.0 108.737 178.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -54.0 -48.2 70.66 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.339 0.518 . . . . 0.0 109.673 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.11 -38.12 85.2 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -177.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.5 mt -65.48 -66.78 0.5 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.069 0.461 . . . . 0.0 110.278 170.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -61.51 -28.02 69.01 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -169.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 9.3 ptm85 . . . . . 0 C--N 1.341 0.223 0 CA-C-N 119.671 1.123 . . . . 0.0 110.757 -171.869 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.59 133.39 43.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 168.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -80.7 153.06 28.09 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-N 118.628 0.649 . . . . 0.0 110.292 174.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -39.87 -55.14 2.05 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.581 1.152 . . . . 0.0 113.583 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -65.6 -38.1 88.52 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 119.162 -1.015 . . . . 0.0 111.123 -175.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -70.79 -32.4 69.49 Favored 'General case' 0 C--O 1.228 -0.061 0 CA-C-N 119.042 0.837 . . . . 0.0 111.101 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -55.09 -52.33 63.56 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 168.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.0 mm -56.21 -51.34 64.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 O-C-N 122.168 -0.333 . . . . 0.0 110.521 176.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 45.9 m -53.72 -44.95 70.3 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.385 1.074 . . . . 0.0 111.114 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -68.72 -43.69 75.44 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 123.185 0.594 . . . . 0.0 110.128 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 83.3 mt -55.93 -35.94 67.19 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.976 0.807 . . . . 0.0 109.866 170.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.24 -50.28 63.07 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 168.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.67 -48.62 74.74 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 118.347 1.073 . . . . 0.0 111.194 175.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 tp -55.9 -48.64 75.26 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.423 1.089 . . . . 0.0 109.599 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.46 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -58.31 -45.1 88.64 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.667 0.787 . . . . 0.0 110.527 175.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 30.4 ttp -62.03 -42.18 98.89 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.733 0.413 . . . . 0.0 110.762 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.12 -40.63 83.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 123.61 0.764 . . . . 0.0 109.256 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -71.49 55.94 0.24 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.843 0.857 . . . . 0.0 111.939 171.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -40.06 -43.16 1.54 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 127.334 2.254 . . . . 0.0 111.871 169.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -53.15 -49.25 66.99 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.589 0.755 . . . . 0.0 110.63 174.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.14 -38.16 90.07 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.091 -0.381 . . . . 0.0 110.198 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 30.4 mt -57.56 -45.0 85.68 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.07 0.395 . . . . 0.0 110.968 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -43.81 97.83 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 174.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.202 0 CA-C-O 118.038 -1.423 . . . . 0.0 112.995 177.845 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.449 -0.485 0 CA-C-O 117.748 -1.12 . . . . 0.0 113.717 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -51.9 -53.91 6.19 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.487 2.792 . . . . 0.0 112.685 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.7 tp -66.05 -45.48 81.23 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.453 -0.779 . . . . 0.0 109.988 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -53.55 -50.28 65.86 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 122.301 0.24 . . . . 0.0 110.689 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -61.44 -40.74 95.55 Favored 'General case' 0 CA--C 1.528 0.107 0 O-C-N 122.141 -0.35 . . . . 0.0 110.719 178.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.11 -54.91 34.53 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 121.918 -0.489 . . . . 0.0 111.716 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.9 pt -58.5 -42.86 85.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.1 -43.62 18.22 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 125.019 1.295 . . . . 0.0 112.512 170.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.42 -59.71 5.01 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.282 1.041 . . . . 0.0 109.973 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -51.27 -49.51 61.05 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.555 0.742 . . . . 0.0 109.842 178.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.17 -49.77 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.093 -176.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.08 -54.73 34.69 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 125.06 1.314 . . . . 0.0 109.982 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mt -49.9 -57.39 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -51.57 -59.27 4.46 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.851 0.358 . . . . 0.0 110.996 -177.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -69.31 -29.74 67.65 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -171.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -58.66 -48.35 81.37 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.635 0.652 . . . . 0.0 109.538 171.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -62.64 -48.99 76.95 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.219 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.7 m -46.84 -47.31 21.22 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 119.144 0.884 . . . . 0.0 110.298 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 C-N-CA 126.463 1.982 . . . . 0.0 114.538 177.803 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 . . . . . 0 CA--C 1.538 0.492 0 CA-C-O 120.633 0.254 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 p -142.46 114.23 8.04 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.64 1.576 . . . . 0.0 108.41 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.84 153.79 22.0 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 168.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.4 t -94.45 -179.29 4.85 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.638 0.654 . . . . 0.0 109.654 169.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -64.16 -67.53 0.42 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.647 1.179 . . . . 0.0 111.214 -169.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -60.68 -33.31 72.67 Favored 'General case' 0 C--O 1.226 -0.184 0 O-C-N 121.696 -0.628 . . . . 0.0 110.347 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -61.24 -47.11 87.58 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.111 0.564 . . . . 0.0 110.472 176.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.545 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.0 tm? -56.91 -48.6 77.85 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.693 -0.629 . . . . 0.0 109.372 171.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -54.75 -44.34 73.51 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.147 -0.971 . . . . 0.0 110.805 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -54.92 -52.46 62.85 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.351 1.461 . . . . 0.0 110.348 175.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -46.07 -53.43 10.24 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.803 0.841 . . . . 0.0 109.873 172.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.6 mt -63.71 -44.36 98.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.941 -0.474 . . . . 0.0 111.482 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -61.79 -44.66 96.43 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.909 -0.494 . . . . 0.0 109.694 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -78.9 -42.5 27.04 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 111.463 0.171 . . . . 0.0 111.463 -172.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -79.95 -60.12 2.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.8 mt . . . . . 0 N--CA 1.461 0.102 0 O-C-N 121.899 -0.501 . . . . 0.0 110.402 -169.311 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.225 -0.206 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.28 -48.71 68.11 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.384 0.611 . . . . 0.0 111.104 173.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -61.39 -46.0 92.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.4 mm -55.7 -47.04 79.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-O 118.777 -0.63 . . . . 0.0 110.505 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.25 23.9 m -71.82 -32.21 43.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 119.466 1.03 . . . . 0.0 112.241 -177.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -59.62 -51.02 71.61 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.217 0.917 . . . . 0.0 109.251 169.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tt -55.0 -44.3 74.38 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.642 0.777 . . . . 0.0 111.202 176.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 62.6 ttp -58.02 -51.35 70.02 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.514 1.125 . . . . 0.0 108.984 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -52.52 -49.41 64.87 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 123.086 0.555 . . . . 0.0 109.926 175.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -60.22 -38.21 82.68 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.86 -0.525 . . . . 0.0 111.692 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mt -66.74 -52.63 42.2 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.318 0.647 . . . . 0.0 111.436 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -72.58 -33.72 66.96 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 121.843 -0.536 . . . . 0.0 112.094 -173.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.3 tpt85 -53.3 -37.95 62.69 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 123.098 0.559 . . . . 0.0 111.09 -169.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -50.05 -32.75 16.28 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.047 0.939 . . . . 0.0 112.166 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -137.45 56.82 1.76 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 168.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 p30 49.25 -87.68 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.634 1.973 . . . . 0.0 113.723 176.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -90.7 -35.0 15.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.514 1.126 . . . . 0.0 111.183 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -93.01 124.44 36.98 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.573 0.701 . . . . 0.0 110.177 -169.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.9 t -79.18 91.08 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 168.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -77.5 145.25 37.12 Favored 'General case' 0 CA--C 1.528 0.111 0 O-C-N 122.138 -0.352 . . . . 0.0 110.189 -175.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -45.62 -58.07 3.71 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -170.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -61.66 -34.67 76.13 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.022 -1.049 . . . . 0.0 110.828 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -68.0 -39.72 83.15 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.189 0.596 . . . . 0.0 109.41 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -55.48 -52.81 62.41 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.876 0.471 . . . . 0.0 110.304 169.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.8 mm -56.75 -52.09 58.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 118.462 0.573 . . . . 0.0 110.417 178.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.5 m -53.1 -48.7 67.58 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.169 0.988 . . . . 0.0 110.41 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -62.0 -44.24 97.14 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 119.167 -0.444 . . . . 0.0 110.43 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.15 -35.25 69.29 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.381 0.991 . . . . 0.0 110.202 173.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.59 -50.74 62.69 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 169.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.7 -47.47 79.85 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.538 -0.978 . . . . 0.0 111.201 176.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.5 tp -53.74 -49.58 67.86 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.433 1.493 . . . . 0.0 109.512 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -58.22 -44.39 88.19 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.024 0.929 . . . . 0.0 111.136 176.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 20.7 ttt -64.66 -41.24 96.24 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.992 -0.443 . . . . 0.0 111.046 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.45 -42.21 92.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 C-N-CA 124.371 1.068 . . . . 0.0 109.046 174.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.5 m-30 -72.11 57.59 0.35 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.349 0.66 . . . . 0.0 109.697 169.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -56.56 -35.24 67.92 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.363 -0.836 . . . . 0.0 111.892 -171.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -47.52 -43.74 25.09 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.482 1.113 . . . . 0.0 111.387 171.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.42 91.26 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 122.908 0.483 . . . . 0.0 110.852 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 CA--C 1.528 0.108 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 175.907 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.541 0.618 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -46.15 -44.54 19.41 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.988 3.125 . . . . 0.0 114.229 174.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 tp -75.19 -46.03 36.7 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.977 0.808 . . . . 0.0 109.553 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -51.03 -48.19 61.52 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 123.444 0.698 . . . . 0.0 110.714 -177.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -61.14 -40.11 92.61 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 117.914 0.324 . . . . 0.0 111.301 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.36 -54.67 25.51 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.831 -0.543 . . . . 0.0 110.886 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 42.5 pt -58.13 -42.48 83.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 120.03 -0.668 . . . . 0.0 109.217 175.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.15 -43.76 13.85 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 126.016 1.769 . . . . 0.0 112.276 170.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.68 -61.08 2.88 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.802 0.841 . . . . 0.0 109.864 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -52.25 -46.22 65.69 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.767 0.827 . . . . 0.0 110.127 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.464 HD11 ' HB1' ' A' ' 81' ' ' ALA . 59.5 mt -58.5 -54.41 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 123.737 0.815 . . . . 0.0 109.846 -178.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.83 -52.21 53.52 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mt -47.88 -48.9 11.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 123.405 0.682 . . . . 0.0 110.083 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -66.95 -64.14 0.91 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.21 0.529 . . . . 0.0 111.759 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.97 -31.05 70.64 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -166.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -63.83 -46.31 85.62 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 120.24 -0.584 . . . . 0.0 109.836 172.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -71.25 -44.22 65.7 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 119.255 -0.402 . . . . 0.0 111.879 -175.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.9 p -62.04 -46.96 86.85 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 119.261 0.937 . . . . 0.0 109.413 171.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 C-N-CA 124.27 0.938 . . . . 0.0 112.037 173.368 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t -138.05 148.01 44.65 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 124.487 1.115 . . . . 0.0 110.46 173.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 tt -133.72 121.23 21.63 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -169.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 25.3 p -78.91 170.82 16.09 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.508 0.67 . . . . 0.0 111.83 -171.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -57.43 -62.39 1.81 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.619 1.168 . . . . 0.0 112.221 -168.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -70.25 -30.76 67.88 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.639 -0.663 . . . . 0.0 110.487 -175.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -61.26 -43.37 98.99 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.461 -0.774 . . . . 0.0 109.501 173.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.439 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.7 tm? -59.23 -48.37 81.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 173.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -50.71 -46.41 58.94 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.489 -0.757 . . . . 0.0 110.666 175.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -58.9 -47.52 84.69 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 122.661 0.384 . . . . 0.0 110.869 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tt -50.8 -54.57 22.48 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.348 0.659 . . . . 0.0 110.03 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 80.5 mt -59.29 -53.58 46.13 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -56.86 -28.76 62.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 123.318 0.647 . . . . 0.0 111.721 -175.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -78.85 -58.3 3.31 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.439 0.563 . . . . 0.0 112.179 170.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -68.83 -69.57 0.32 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 122.753 1.264 . . . . 0.0 108.922 -175.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 65.7 mt . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 -176.41 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 119.579 -0.248 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.46 -47.49 72.87 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.293 0.497 . . . . 0.0 111.245 169.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -63.12 -43.46 98.34 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 37.5 mm -56.08 -43.95 77.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 CA-C-O 117.943 -1.027 . . . . 0.0 111.525 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 m -65.45 -33.05 61.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 120.88 1.673 . . . . 0.0 112.291 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -62.0 -50.3 72.59 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.116 -0.99 . . . . 0.0 109.779 171.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.27 -39.63 83.53 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.939 -0.476 . . . . 0.0 111.439 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.0 ttp -58.04 -53.46 58.05 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 125.085 1.354 . . . . 0.0 108.735 173.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -50.8 -50.65 55.74 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -55.53 -52.29 64.2 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 117.807 0.276 . . . . 0.0 111.04 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mt -53.7 -57.55 10.41 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 123.61 0.764 . . . . 0.0 111.624 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -63.77 -38.96 93.06 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 121.736 -0.602 . . . . 0.0 110.891 -178.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 . . . . . 0 C--O 1.231 0.107 0 C-N-CA 123.967 0.907 . . . . 0.0 110.022 177.459 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 . . . . . 0 C--O 1.233 0.225 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 14.5 p -76.65 118.15 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -170.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -84.25 148.65 26.58 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -44.24 -60.46 1.9 Allowed 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -169.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -59.61 -38.59 81.68 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.322 -0.861 . . . . 0.0 110.909 -176.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 -66.23 -40.11 90.03 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.448 1.099 . . . . 0.0 110.549 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -55.46 -50.17 70.58 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.843 -0.535 . . . . 0.0 110.051 170.005 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.4 mm -57.6 -47.95 84.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.6 m -52.01 -47.71 64.82 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.964 0.906 . . . . 0.0 110.431 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -63.95 -45.06 90.85 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 122.671 0.388 . . . . 0.0 110.589 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.8 mt -57.42 -34.69 69.19 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.151 -0.968 . . . . 0.0 110.489 173.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.75 -49.42 70.6 Favored Glycine 0 CA--C 1.532 1.14 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 168.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.14 -50.89 63.62 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 117.368 0.584 . . . . 0.0 110.648 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.9 tp -56.4 -45.17 80.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.156 0.983 . . . . 0.0 110.312 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.77 89.04 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.348 0.659 . . . . 0.0 111.046 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 27.4 ptm -68.64 -33.24 73.66 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.133 0.879 . . . . 0.0 112.471 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 70.5 mt -56.41 -44.26 79.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -73.54 50.33 0.32 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.799 0.839 . . . . 0.0 111.342 169.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -41.15 -40.55 1.56 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 127.3 2.24 . . . . 0.0 112.127 171.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -54.47 -45.37 73.15 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.42 0.688 . . . . 0.0 111.151 176.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.75 94.2 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.942 0.497 . . . . 0.0 110.182 176.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.82 -51.71 68.81 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.927 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -66.78 -43.16 84.71 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.622 0.249 . . . . 0.0 110.748 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.26 0 CA-C-O 117.432 -1.76 . . . . 0.0 111.25 -178.484 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.536 0.436 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.82 -37.17 97.39 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.5 2.133 . . . . 0.0 113.284 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.1 tp -81.22 -46.43 14.84 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 118.349 0.522 . . . . 0.0 109.733 174.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -50.29 -45.56 54.6 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 123.819 0.848 . . . . 0.0 110.543 -176.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -59.98 -38.48 82.67 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 117.987 0.358 . . . . 0.0 111.707 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.6 -53.96 13.9 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.717 -0.614 . . . . 0.0 110.551 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.4 pt -57.93 -41.56 80.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 119.726 -0.789 . . . . 0.0 109.1 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.52 -43.21 20.65 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 125.852 1.691 . . . . 0.0 112.243 169.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.48 -60.36 3.97 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.548 1.174 . . . . 0.0 109.962 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -50.85 -47.63 60.21 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 123.442 0.697 . . . . 0.0 110.219 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.492 HD11 ' HB1' ' B' ' 81' ' ' ALA . 61.6 mt -61.45 -49.19 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.253 0.621 . . . . 0.0 109.648 -179.123 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.54 -53.43 46.04 Favored Glycine 0 CA--C 1.522 0.522 0 C-N-CA 124.427 1.013 . . . . 0.0 110.6 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.1 mt -49.55 -55.12 5.08 Favored 'Isoleucine or valine' 0 C--N 1.339 0.119 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 175.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -53.6 -55.85 22.22 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.331 0.586 . . . . 0.0 111.475 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.4 -19.82 65.45 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 118.089 -0.958 . . . . 0.0 113.545 -170.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -58.72 -52.31 66.23 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.343 1.429 . . . . 0.0 108.959 168.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -75.38 -40.89 57.51 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.726 -173.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 m -63.51 -36.83 85.07 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.22 -0.925 . . . . 0.0 110.602 170.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.557 0 C-N-CA 125.69 1.614 . . . . 0.0 109.922 169.798 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.7 m -158.47 152.64 24.03 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.429 1.892 . . . . 0.0 106.037 -172.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.4 mt -122.3 140.23 52.87 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 170.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.2 m -77.2 151.26 35.29 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 168.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -49.14 -40.98 34.68 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -168.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -74.85 -32.36 61.9 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.778 -0.576 . . . . 0.0 111.464 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.87 -44.77 92.11 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 173.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.586 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.5 tm? -54.95 -49.87 70.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 170.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -54.74 -42.27 71.42 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.326 -0.859 . . . . 0.0 110.292 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -58.12 -50.29 74.0 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.375 0.534 . . . . 0.0 111.126 175.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -46.54 -54.13 9.95 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.423 0.689 . . . . 0.0 110.016 172.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.5 mt -61.15 -55.75 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 O-C-N 122.102 -0.374 . . . . 0.0 110.608 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -53.69 -39.82 65.48 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 122.528 0.331 . . . . 0.0 111.136 -176.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -77.97 -56.19 4.69 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.88 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -75.01 -55.48 5.7 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.047 0.451 . . . . 0.0 110.089 -171.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.0 mt . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 179.616 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 119.316 -0.373 . . . . 0.0 111.474 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.8 -49.26 71.42 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.247 0.476 . . . . 0.0 111.312 172.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -60.18 -47.3 86.53 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 176.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.7 mm -54.74 -43.3 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.985 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.326 13.5 m -69.41 -32.93 55.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 120.362 1.437 . . . . 0.0 113.069 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -62.82 -47.55 82.91 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 119.072 -1.051 . . . . 0.0 109.318 169.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.83 -45.14 82.54 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.732 -0.605 . . . . 0.0 112.036 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.408 ' HB2' HD12 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -68.97 -36.64 78.12 Favored 'General case' 0 C--N 1.34 0.159 0 O-C-N 121.073 -1.017 . . . . 0.0 109.706 -179.302 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -54.89 -53.08 60.09 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 171.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -53.42 -51.93 61.02 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.563 0.345 . . . . 0.0 111.55 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mt -53.69 -54.46 37.54 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 122.941 0.496 . . . . 0.0 111.099 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -31.11 63.5 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.965 -0.54 . . . . 0.0 112.0 -170.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -48.14 -42.89 30.56 Favored 'General case' 0 C--N 1.338 0.107 0 C-N-CA 124.276 1.03 . . . . 0.0 110.47 -173.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -43.05 -39.85 2.88 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.461 1.104 . . . . 0.0 112.498 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -138.5 60.44 1.61 Allowed 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 169.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 13.37 88.75 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 128.04 2.536 . . . . 0.0 114.824 173.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 96.57 -27.48 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 128.144 2.578 . . . . 0.0 112.621 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -103.54 108.14 19.28 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.992 0.917 . . . . 0.0 109.426 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.3 t -78.63 93.44 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 173.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -77.13 146.67 37.02 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.835 -0.541 . . . . 0.0 109.933 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -43.55 -51.47 6.8 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.034 0.934 . . . . 0.0 113.399 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -57.85 -43.73 86.07 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.372 0.606 . . . . 0.0 110.033 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -70.43 -37.62 74.42 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.515 0.726 . . . . 0.0 110.169 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -53.84 -53.84 46.9 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.189 0.596 . . . . 0.0 110.132 169.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.0 mm -59.2 -50.28 80.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 118.502 0.592 . . . . 0.0 110.381 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 50.8 m -51.27 -46.84 62.55 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.495 0.718 . . . . 0.0 110.765 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -65.77 -43.12 89.79 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.165 0.586 . . . . 0.0 110.551 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.4 mt -56.56 -35.27 67.95 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.594 1.088 . . . . 0.0 110.289 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.56 -49.79 67.26 Favored Glycine 0 CA--C 1.533 1.161 0 N-CA-C 111.374 -0.691 . . . . 0.0 111.374 168.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.77 -45.35 78.14 Favored 'General case' 0 C--O 1.224 -0.26 0 O-C-N 121.849 -0.795 . . . . 0.0 111.133 173.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.5 tp -58.26 -45.95 86.88 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.407 1.083 . . . . 0.0 109.809 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.8 -52.12 65.08 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.534 0.733 . . . . 0.0 110.423 173.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -57.32 -41.0 79.09 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.984 0.514 . . . . 0.0 111.701 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.6 mt -68.5 -45.49 81.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 125.013 1.325 . . . . 0.0 110.458 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -52.68 -47.36 67.25 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 171.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 73.05 -57.53 0.63 Allowed 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 125.471 1.508 . . . . 0.0 113.73 167.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -50.14 -40.34 46.04 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.194 0.597 . . . . 0.0 109.949 174.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.49 -42.87 7.48 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.186 1.394 . . . . 0.0 112.329 173.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 40.5 mt . . . . . 0 CA--C 1.532 0.254 0 C-N-CA 123.231 0.613 . . . . 0.0 110.964 -179.694 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.48 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.93 -45.59 39.75 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.472 2.781 . . . . 0.0 111.901 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 56.8 tp -67.95 -46.18 72.17 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -52.92 -50.19 64.45 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 122.924 0.489 . . . . 0.0 110.611 -178.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -61.08 -41.05 95.91 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.121 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.33 -54.85 34.49 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.723 -0.611 . . . . 0.0 111.982 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 32.2 pt -57.43 -43.58 82.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.43 -42.4 13.44 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 125.427 1.489 . . . . 0.0 112.492 171.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -60.4 3.89 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.127 0.963 . . . . 0.0 109.928 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -51.44 -48.12 62.82 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.451 0.701 . . . . 0.0 110.213 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.41 -56.34 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 123.863 0.865 . . . . 0.0 108.983 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.04 -52.1 41.94 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 124.39 0.995 . . . . 0.0 111.261 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mt -51.11 -52.94 16.53 Favored 'Isoleucine or valine' 0 C--N 1.34 0.156 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -57.36 -61.78 2.24 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 120.813 0.339 . . . . 0.0 111.636 -177.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -68.67 -23.21 64.37 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -169.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -59.59 -51.07 71.39 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 120.032 1.287 . . . . 0.0 109.428 169.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -64.36 -41.51 96.68 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 119.142 -0.456 . . . . 0.0 111.451 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 15.4 m -55.27 -52.94 61.79 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.944 0.793 . . . . 0.0 110.172 171.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.593 0 C-N-CA 125.801 1.667 . . . . 0.0 111.634 -178.846 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 18.2 m170 . . . . . 0 CA--C 1.534 0.338 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 97.6 m -140.85 158.89 43.31 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.309 1.444 . . . . 0.0 108.608 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 94.5 mt -124.49 139.27 54.04 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 124.84 1.256 . . . . 0.0 107.67 169.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.3 t -79.34 153.3 29.9 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 168.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -50.93 -46.3 60.83 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.54 0.736 . . . . 0.0 112.796 -171.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -71.7 -29.48 64.61 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.186 -0.946 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -66.14 -41.85 89.9 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.521 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.0 tm? -56.04 -48.89 75.15 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 170.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -53.21 -48.2 68.32 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 120.91 -1.119 . . . . 0.0 110.589 175.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -54.58 -47.06 73.75 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 122.537 0.335 . . . . 0.0 110.932 177.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 tt -51.09 -54.18 27.34 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 124.148 0.979 . . . . 0.0 109.514 174.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 47.5 mt -59.6 -49.45 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 O-C-N 122.056 -0.403 . . . . 0.0 110.995 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -57.62 -42.26 82.99 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 122.209 -0.307 . . . . 0.0 110.813 -177.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -74.93 -51.19 14.41 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.617 0.644 . . . . 0.0 112.125 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -80.37 -45.41 17.77 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.321 0.648 . . . . 0.0 112.245 -169.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 CA--C 1.532 0.262 0 C-N-CA 123.215 0.606 . . . . 0.0 109.504 -176.782 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 . . . . . 0 CA--C 1.532 0.288 0 CA-C-O 119.417 -0.325 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.12 78.26 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.049 0.452 . . . . 0.0 111.296 172.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -60.59 -45.88 92.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 18.1 mm -57.29 -42.14 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-O 117.605 -1.188 . . . . 0.0 111.311 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 m -68.73 -36.85 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 121.138 1.79 . . . . 0.0 112.47 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.51 -52.22 66.5 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.106 0.866 . . . . 0.0 109.696 173.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.54 -42.95 79.35 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.625 1.17 . . . . 0.0 111.245 177.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 60.9 ttp -58.07 -49.22 77.67 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.85 1.26 . . . . 0.0 108.551 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -56.49 -49.17 75.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 176.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -56.55 -41.69 77.26 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 122.023 -0.423 . . . . 0.0 112.102 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.53 -51.69 64.38 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.851 0.86 . . . . 0.0 110.689 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.45 -27.28 56.11 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -170.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 45.2 ttm180 . . . . . 0 CA--C 1.529 0.138 0 C-N-CA 123.654 0.781 . . . . 0.0 110.514 -176.685 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 3.1 t -107.06 106.24 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 125.138 1.375 . . . . 0.0 107.525 177.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -80.53 152.22 28.77 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.835 -0.54 . . . . 0.0 110.215 174.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -43.47 -60.65 1.65 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -170.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.84 -36.02 82.53 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 118.99 -1.084 . . . . 0.0 110.599 -174.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -62.76 -41.85 99.41 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.26 0.624 . . . . 0.0 109.731 177.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -54.06 -53.51 52.09 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 117.831 0.287 . . . . 0.0 110.795 170.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.3 mm -56.36 -49.46 76.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 118.006 0.366 . . . . 0.0 110.087 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 48.9 m -53.31 -49.91 66.03 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.399 1.079 . . . . 0.0 110.162 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -61.03 -46.22 91.59 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 119.307 -0.377 . . . . 0.0 110.454 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 61.4 mt -56.79 -35.47 68.75 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.057 0.844 . . . . 0.0 110.5 174.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.67 -51.94 53.63 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 169.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.68 -46.03 81.39 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 117.76 0.78 . . . . 0.0 111.25 176.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.3 tp -55.17 -49.35 72.07 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.654 1.182 . . . . 0.0 109.711 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.492 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -60.07 -41.65 92.87 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.494 0.718 . . . . 0.0 111.148 177.486 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.06 -47.0 86.62 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 71.2 mt -56.51 -40.45 68.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -72.31 60.04 0.43 Allowed 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.812 -0.555 . . . . 0.0 111.563 171.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -48.71 -33.41 10.09 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.232 -0.918 . . . . 0.0 111.682 169.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -55.13 -46.72 75.64 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.486 0.714 . . . . 0.0 110.328 173.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.89 82.95 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.888 0.475 . . . . 0.0 110.052 177.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 55.2 mt -53.1 -51.69 61.06 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 117.692 0.224 . . . . 0.0 110.853 176.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -64.9 -46.87 79.94 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 117.09 -1.95 . . . . 0.0 111.384 179.76 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -61.52 -46.67 13.69 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.226 1.951 . . . . 0.0 112.607 -174.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.3 tp -77.69 -44.63 27.35 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -51.18 -47.17 62.25 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.588 0.755 . . . . 0.0 110.81 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -62.26 -36.1 81.0 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 119.855 -0.738 . . . . 0.0 111.558 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.52 -53.05 17.73 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.758 -0.589 . . . . 0.0 110.785 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.5 pt -58.03 -41.98 81.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.93 -46.07 25.85 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.978 1.275 . . . . 0.0 112.141 170.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.47 ' CD1' HD12 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -56.77 -59.63 4.74 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.227 1.013 . . . . 0.0 110.051 179.375 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -50.41 -50.39 51.95 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 123.334 0.654 . . . . 0.0 109.748 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.66 -46.28 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.97 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.06 -54.95 33.75 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.47 HD12 ' CD1' ' A' ' 11' ' ' LEU . 3.8 mt -51.58 -53.55 15.96 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 CA-C-N 117.386 0.593 . . . . 0.0 109.419 178.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -55.72 -63.16 1.26 Allowed 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.845 -178.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -72.64 -22.71 60.9 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 119.218 -0.42 . . . . 0.0 111.96 -169.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -59.52 -50.1 75.2 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 169.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -60.34 -46.93 88.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.475 -0.774 . . . . 0.0 111.426 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 m -50.0 -54.46 19.97 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.164 0.893 . . . . 0.0 110.721 172.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 C-N-CA 125.566 1.555 . . . . 0.0 112.074 179.861 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 . . . . . 0 CA--C 1.54 0.588 0 CA-C-O 121.747 0.784 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 t -156.18 164.6 38.17 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 126.56 1.944 . . . . 0.0 106.724 -176.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.7 mt -132.99 149.81 52.21 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.372 1.069 . . . . 0.0 109.018 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.2 p -95.34 178.75 5.41 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.93 1.292 . . . . 0.0 111.019 175.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -60.48 -68.15 0.33 Allowed 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.16 0.984 . . . . 0.0 112.088 -170.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -63.42 -35.9 81.95 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.785 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -56.79 -49.19 76.06 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.03 0.532 . . . . 0.0 109.729 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.498 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.6 tm? -59.81 -48.38 81.92 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.265 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -55.66 -42.21 74.75 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 119.298 -0.961 . . . . 0.0 110.603 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -62.54 -38.54 90.41 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.241 1.016 . . . . 0.0 111.193 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 tt -55.31 -54.18 46.84 Favored 'General case' 0 C--N 1.338 0.098 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 169.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.2 mt -62.78 -46.95 95.06 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 CA-C-O 119.015 -0.517 . . . . 0.0 111.306 -175.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -58.36 -40.4 82.15 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 119.524 1.057 . . . . 0.0 111.069 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.31 -54.67 18.65 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.336 0.516 . . . . 0.0 110.055 177.516 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -75.24 -46.51 33.36 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -169.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.9 mt . . . . . 0 C--N 1.33 -0.258 0 C-N-CA 125.648 1.579 . . . . 0.0 107.345 -177.679 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 . . . . . 0 C--O 1.225 -0.203 0 N-CA-C 111.493 0.183 . . . . 0.0 111.493 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.73 -48.77 40.33 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.683 1.193 . . . . 0.0 111.28 172.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -65.1 -42.36 94.11 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.0 mm -57.79 -47.57 85.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 118.969 -0.538 . . . . 0.0 110.604 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.1 m -66.69 -36.6 77.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 119.68 1.127 . . . . 0.0 111.664 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -58.79 -51.45 69.93 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.025 0.829 . . . . 0.0 110.194 172.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.64 -45.17 73.72 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.277 1.031 . . . . 0.0 110.877 176.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -60.2 -47.59 85.33 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.748 0.819 . . . . 0.0 109.569 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -54.05 -52.8 59.74 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -53.3 -49.13 67.63 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.966 0.506 . . . . 0.0 111.019 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mt -50.97 -60.89 2.61 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.435 0.694 . . . . 0.0 110.409 175.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -73.51 -24.93 60.23 Favored 'General case' 0 CA--C 1.527 0.093 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -171.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -53.33 -36.0 60.81 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.533 0.733 . . . . 0.0 110.654 -176.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -44.75 -38.59 4.56 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.571 1.149 . . . . 0.0 112.51 175.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -131.01 54.01 1.94 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.962 0.887 . . . . 0.0 109.649 169.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.2 p30 54.01 -17.6 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 119.568 3.173 . . . . 0.0 119.568 167.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -166.92 -39.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 120.313 1.415 . . . . 0.0 111.251 -170.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -110.78 146.34 36.55 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 172.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.6 p -93.53 126.44 45.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 168.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -88.16 160.27 17.82 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -44.79 -61.79 1.46 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -175.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -63.66 -32.82 74.42 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.087 -1.008 . . . . 0.0 110.907 -175.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -62.14 -45.66 92.44 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -54.42 -52.07 62.91 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.681 0.793 . . . . 0.0 110.422 173.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.0 mm -57.52 -51.13 73.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 118.507 0.594 . . . . 0.0 110.608 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.1 m -54.1 -47.92 71.26 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.654 0.781 . . . . 0.0 110.06 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -60.86 -44.74 96.6 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 119.112 -0.471 . . . . 0.0 110.39 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.0 mt -56.78 -34.96 68.15 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.357 0.981 . . . . 0.0 110.62 173.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.38 -52.01 54.23 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 121.733 -0.604 . . . . 0.0 111.601 169.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.57 -44.64 77.04 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.76 -0.847 . . . . 0.0 111.19 175.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.9 tp -58.95 -44.73 91.48 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.538 1.135 . . . . 0.0 109.895 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.75 90.59 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.553 0.741 . . . . 0.0 110.947 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 68.6 mtm -59.06 -45.38 90.95 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.489 0.586 . . . . 0.0 111.515 173.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 80.3 mt -58.5 -44.87 89.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -73.08 54.02 0.38 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.733 0.813 . . . . 0.0 110.05 171.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -57.65 -30.95 65.83 Favored 'General case' 0 N--CA 1.457 -0.109 0 O-C-N 121.271 -0.893 . . . . 0.0 112.613 -169.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -46.2 -43.79 15.57 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.327 1.051 . . . . 0.0 111.253 171.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.3 95.16 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 122.69 0.396 . . . . 0.0 110.64 177.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.363 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -52.5 -52.58 8.56 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.711 2.274 . . . . 0.0 114.266 -169.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 59.6 tp -72.46 -45.63 58.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 121.535 -0.728 . . . . 0.0 109.794 177.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -52.37 -45.74 65.91 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.687 0.395 . . . . 0.0 111.049 -176.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -66.83 -36.01 81.36 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.147 0.43 . . . . 0.0 111.063 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.2 -53.87 32.06 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 121.676 -0.64 . . . . 0.0 111.013 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 35.5 pt -58.24 -41.9 82.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 174.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.18 -41.38 11.34 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.658 1.599 . . . . 0.0 112.694 169.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.41 -59.63 4.96 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.417 1.108 . . . . 0.0 109.716 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -52.63 -47.52 66.98 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.486 0.714 . . . . 0.0 109.984 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.2 mt -59.74 -50.23 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 124.049 0.94 . . . . 0.0 109.865 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.67 -54.72 35.52 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 125.008 1.29 . . . . 0.0 110.048 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mt -48.17 -53.28 6.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 176.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -57.83 -56.48 21.43 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.335 -178.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -73.45 -28.06 61.75 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 121.911 -0.493 . . . . 0.0 112.164 -170.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -59.79 -51.91 67.71 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 170.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -56.76 -57.03 14.22 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.49 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.9 t -46.18 -51.42 14.19 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.02 0.928 . . . . 0.0 111.334 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.825 0 C-N-CA 124.725 1.155 . . . . 0.0 112.586 177.57 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 22.8 m170 . . . . . 0 CA--C 1.539 0.548 0 CA-C-O 120.765 0.317 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -151.3 150.78 30.93 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.995 1.718 . . . . 0.0 107.675 -169.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 96.6 mt -125.65 155.7 40.42 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 168.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.9 p -87.73 157.82 18.96 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 168.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -64.56 -43.54 93.6 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 120.896 -1.128 . . . . 0.0 113.249 -170.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -71.14 -35.53 71.75 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.078 -1.014 . . . . 0.0 110.595 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -56.81 -48.65 77.48 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 171.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.544 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.3 tm? -53.72 -49.0 69.05 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.009 0.524 . . . . 0.0 109.773 172.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -49.3 -48.56 46.1 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.251 -0.906 . . . . 0.0 109.79 176.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.26 -46.95 88.04 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.972 0.909 . . . . 0.0 111.941 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -47.6 -53.2 15.34 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.293 1.037 . . . . 0.0 109.017 174.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 73.1 mt -59.86 -44.8 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.952 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -60.27 -43.0 96.56 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 119.376 0.989 . . . . 0.0 110.691 -175.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -70.6 -56.65 6.0 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.709 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -74.91 -47.67 28.64 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.218 -0.302 . . . . 0.0 111.493 -169.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 74.9 mt . . . . . 0 CA--C 1.533 0.319 0 C-N-CA 125.626 1.57 . . . . 0.0 109.612 -176.903 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.416 0.15 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.06 -45.89 64.91 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.907 0.883 . . . . 0.0 110.741 175.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -66.34 -43.64 85.54 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 30.5 mm -53.63 -52.95 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-O 118.664 -0.684 . . . . 0.0 109.939 173.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.291 15.5 m -67.08 -34.64 71.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 119.561 1.073 . . . . 0.0 112.183 -174.166 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -56.95 -53.34 59.17 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.876 0.762 . . . . 0.0 110.057 169.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tt -56.47 -42.11 77.68 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.525 0.73 . . . . 0.0 111.397 178.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -62.5 -42.45 99.51 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.377 1.071 . . . . 0.0 109.734 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -57.49 -49.48 76.16 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.022 0.374 . . . . 0.0 110.049 172.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -54.28 -50.31 67.55 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 117.757 0.253 . . . . 0.0 111.205 177.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.3 mt -55.21 -55.54 30.09 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.221 0.608 . . . . 0.0 110.698 175.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -71.16 -21.11 62.22 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -172.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 CA--C 1.532 0.265 0 C-N-CA 124.053 0.941 . . . . 0.0 110.912 176.708 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.3 t -116.66 111.08 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 126.916 2.087 . . . . 0.0 105.605 169.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -79.36 146.92 32.62 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 121.72 -0.613 . . . . 0.0 109.649 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -45.16 -51.09 10.86 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.372 1.069 . . . . 0.0 113.198 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -57.38 -47.25 82.16 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.669 -0.644 . . . . 0.0 110.034 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -69.14 -34.93 75.78 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 119.442 -0.313 . . . . 0.0 110.662 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -54.94 -53.87 50.02 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.365 0.53 . . . . 0.0 110.051 169.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.0 mm -58.37 -50.69 77.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 118.672 0.669 . . . . 0.0 110.227 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 35.5 m -52.83 -45.75 67.45 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.495 0.718 . . . . 0.0 110.779 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -66.34 -43.76 85.18 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 123.552 0.741 . . . . 0.0 110.206 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 80.9 mt -56.69 -35.32 68.34 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.179 0.9 . . . . 0.0 110.058 172.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.57 -50.14 64.95 Favored Glycine 0 CA--C 1.532 1.139 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 168.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.93 -45.93 78.62 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.58 -0.953 . . . . 0.0 111.182 174.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.1 tp -58.08 -46.32 85.66 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.182 0.993 . . . . 0.0 109.723 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.88 -42.97 85.7 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.722 0.809 . . . . 0.0 110.746 174.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 36.0 ttm -60.51 -44.74 95.7 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.996 -0.44 . . . . 0.0 111.227 174.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.99 -41.56 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.285 0.634 . . . . 0.0 109.35 174.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -73.15 58.81 0.52 Allowed 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.858 -0.527 . . . . 0.0 110.556 169.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -51.09 -40.47 58.46 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.569 1.148 . . . . 0.0 111.581 -175.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -57.64 -35.78 70.97 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.93 0.492 . . . . 0.0 111.482 178.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.84 -47.11 84.8 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 10.6 mt -60.89 -40.66 93.9 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 121.134 -0.227 . . . . 0.0 110.883 176.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -56.14 -46.8 79.11 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.465 0.706 . . . . 0.0 109.893 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.175 0 CA-C-O 117.242 -1.866 . . . . 0.0 111.632 174.602 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.528 0 CA-C-O 118.667 -0.682 . . . . 0.0 112.032 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -44.62 -44.13 14.01 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.599 2.866 . . . . 0.0 114.708 171.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.4 tp -72.46 -49.59 32.23 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 119.664 1.12 . . . . 0.0 110.441 176.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -50.74 -47.85 59.27 Favored 'General case' 0 N--CA 1.458 -0.075 0 C-N-CA 124.394 1.078 . . . . 0.0 110.259 -175.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -61.15 -37.16 81.84 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.365 -0.209 . . . . 0.0 111.424 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.56 -54.0 19.43 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.717 -0.614 . . . . 0.0 110.767 -178.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.8 pt -57.34 -43.43 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 174.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.74 -44.02 23.24 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 125.377 1.465 . . . . 0.0 112.33 171.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -60.65 3.49 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.235 1.014 . . . . 0.0 109.666 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -51.31 -47.45 62.61 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.387 0.675 . . . . 0.0 110.326 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.459 HD11 ' HB1' ' B' ' 81' ' ' ALA . 58.5 mt -61.81 -51.05 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.055 0.542 . . . . 0.0 109.911 -177.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.31 -54.1 38.22 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -50.97 -55.76 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -53.28 -60.67 3.0 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.123 0.487 . . . . 0.0 111.193 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -71.34 -22.46 61.91 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.758 -168.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -61.52 -55.66 28.57 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 119.302 0.956 . . . . 0.0 109.091 168.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -63.26 -36.83 84.95 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 118.948 -0.548 . . . . 0.0 111.365 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.5 m -58.37 -59.15 5.79 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 119.23 0.923 . . . . 0.0 109.066 169.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.697 0 C-N-CA 125.739 1.638 . . . . 0.0 112.79 179.566 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 . . . . . 0 CA--C 1.539 0.54 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.9 p -149.31 138.96 21.74 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.005 1.322 . . . . 0.0 109.279 -172.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.2 mt -109.61 133.7 52.81 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 168.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.2 t -77.37 147.11 36.27 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 169.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -45.44 -45.48 12.92 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.29 1.436 . . . . 0.0 112.462 -171.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.66 -35.05 70.23 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.697 -0.627 . . . . 0.0 111.381 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.44 -41.97 92.89 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.557 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.6 tm? -56.05 -49.29 74.17 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 169.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -56.16 -40.35 73.73 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 120.879 -1.138 . . . . 0.0 110.744 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -59.58 -50.34 74.28 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.09 0.556 . . . . 0.0 110.516 175.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -46.87 -53.62 11.73 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.234 1.014 . . . . 0.0 109.635 173.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.2 mt -62.12 -52.02 65.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 O-C-N 121.788 -0.57 . . . . 0.0 110.796 -177.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -58.28 -39.78 80.16 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.892 -0.505 . . . . 0.0 111.546 -178.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -80.5 -46.3 16.07 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.716 0.689 . . . . 0.0 111.873 -176.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -82.05 -46.51 13.81 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.763 0.825 . . . . 0.0 112.595 -174.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.6 mp . . . . . 0 N--CA 1.464 0.244 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -176.726 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.225 -0.225 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.96 -48.39 70.35 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.469 0.652 . . . . 0.0 111.023 173.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -65.12 -40.41 94.44 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.0 mm -56.85 -49.66 78.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.337 0 CA-C-O 119.022 -0.513 . . . . 0.0 110.042 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.263 17.9 m -68.37 -32.44 55.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 119.108 0.867 . . . . 0.0 112.192 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -58.72 -51.48 69.8 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.206 0.912 . . . . 0.0 109.614 169.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -57.38 -42.4 82.06 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.811 0.844 . . . . 0.0 111.306 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.6 ttp -58.96 -50.5 73.81 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 124.823 1.249 . . . . 0.0 108.962 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -53.71 -50.49 65.8 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -54.91 -51.71 65.18 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.229 0.468 . . . . 0.0 110.946 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.1 mt -51.65 -61.05 2.49 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.622 0.769 . . . . 0.0 110.376 175.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.48 -25.42 61.42 Favored 'General case' 0 CA--C 1.528 0.105 0 O-C-N 121.505 -0.747 . . . . 0.0 112.999 -171.248 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.6 tpt85 -65.97 -14.46 61.65 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.073 0.949 . . . . 0.0 111.201 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -31.0 64.52 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.643 -0.661 . . . . 0.0 109.317 168.355 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -123.65 -127.29 0.25 Allowed 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 168.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -142.77 115.72 8.8 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 104.724 -2.324 . . . . 0.0 104.724 167.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 75.09 -36.31 0.31 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.954 1.302 . . . . 0.0 114.305 168.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -106.35 109.34 21.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.396 1.078 . . . . 0.0 109.194 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.06 111.02 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -77.6 150.64 34.64 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 121.418 -0.801 . . . . 0.0 109.261 175.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -39.94 -51.22 2.51 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.167 0.987 . . . . 0.0 113.114 176.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -62.46 -42.47 99.5 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.723 -0.611 . . . . 0.0 110.363 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -62.83 -44.52 95.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.967 0.907 . . . . 0.0 109.543 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -53.89 -53.63 49.94 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.426 0.691 . . . . 0.0 110.756 173.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.28 -48.85 83.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 119.026 0.83 . . . . 0.0 110.196 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.6 m -52.14 -50.58 61.46 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.355 0.598 . . . . 0.0 110.166 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.17 -45.87 92.85 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 122.619 0.368 . . . . 0.0 110.861 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.9 mt -57.64 -36.33 71.7 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.068 0.849 . . . . 0.0 110.421 175.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.7 -49.88 63.51 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 169.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.2 -44.63 92.23 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 117.733 0.766 . . . . 0.0 111.88 175.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 tp -56.1 -49.9 72.56 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.59 1.156 . . . . 0.0 109.282 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.406 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -58.98 -43.92 91.48 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.515 0.726 . . . . 0.0 110.845 176.209 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 14.3 tpt -60.09 -44.6 94.69 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.403 0.281 . . . . 0.0 110.648 177.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.2 mt -58.57 -40.12 77.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 123.285 0.634 . . . . 0.0 109.32 174.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -72.51 56.36 0.37 Allowed 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.748 -0.595 . . . . 0.0 112.24 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -41.47 -44.63 2.96 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 125.427 1.491 . . . . 0.0 112.113 172.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -54.22 -45.6 72.3 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.418 0.287 . . . . 0.0 110.693 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.44 97.61 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.573 0.349 . . . . 0.0 110.134 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.9 mt . . . . . 0 CA--C 1.53 0.198 0 CA-C-N 117.674 0.216 . . . . 0.0 110.717 175.859 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 CA--C 1.542 0.646 0 CA-C-O 117.73 -1.128 . . . . 0.0 114.001 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -58.11 -34.1 98.12 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 121.992 1.794 . . . . 0.0 113.403 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 58.9 tp -81.2 -46.19 15.21 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 119.12 0.873 . . . . 0.0 110.052 173.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -49.92 -47.26 52.41 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 124.156 0.982 . . . . 0.0 110.305 -176.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -58.06 -39.57 78.81 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.488 177.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.37 -53.98 16.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.908 -0.495 . . . . 0.0 110.411 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.6 pt -57.9 -43.58 84.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.39 -43.27 26.98 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 125.546 1.546 . . . . 0.0 112.268 171.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -60.05 4.49 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.079 0.952 . . . . 0.0 109.945 179.236 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -52.34 -45.71 65.78 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 123.407 0.683 . . . . 0.0 110.112 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.406 HD11 ' HB1' ' A' ' 81' ' ' ALA . 64.4 mt -60.1 -53.96 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 122.942 0.497 . . . . 0.0 110.102 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.63 -51.91 51.77 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 mt -49.59 -56.58 2.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -53.96 -56.93 13.25 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.276 0.56 . . . . 0.0 111.794 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -67.4 -26.09 66.27 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -169.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -59.01 -54.69 44.28 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 119.243 0.929 . . . . 0.0 109.614 169.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -68.41 -39.02 81.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 119.0 -0.524 . . . . 0.0 111.693 -175.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 83.7 p -65.89 -48.76 70.4 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 119.771 1.168 . . . . 0.0 109.214 173.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 C-N-CA 126.13 1.824 . . . . 0.0 112.446 171.209 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 110.656 -0.127 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 42.6 p -144.66 128.27 17.13 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.788 1.235 . . . . 0.0 109.628 -169.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 60.1 mt -107.56 130.14 54.91 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 169.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.1 t -78.69 178.78 7.59 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.651 0.66 . . . . 0.0 111.118 172.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -60.66 -67.48 0.39 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 125.405 1.482 . . . . 0.0 111.615 -169.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -66.54 -29.69 69.83 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.004 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -59.32 -48.41 81.74 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 173.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.529 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.6 tm? -58.25 -49.31 77.55 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -56.78 -40.26 75.55 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 119.247 -0.981 . . . . 0.0 110.811 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.57 -50.69 72.89 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.603 0.761 . . . . 0.0 110.099 175.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tt -47.2 -54.42 10.77 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.214 0.605 . . . . 0.0 109.744 172.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.4 mt -60.76 -55.55 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.664 -177.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -57.71 -39.34 76.99 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.396 0.998 . . . . 0.0 111.871 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -80.08 -41.15 26.16 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.707 -0.621 . . . . 0.0 111.551 -174.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -81.41 -56.84 3.78 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.207 0.527 . . . . 0.0 110.822 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 CA--C 1.532 0.277 0 C-N-CA 126.294 1.837 . . . . 0.0 107.685 -178.748 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 C--O 1.225 -0.185 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.3 -48.2 68.6 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.535 0.734 . . . . 0.0 111.103 175.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -64.74 -42.91 94.85 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 36.5 mm -58.3 -45.06 89.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.876 177.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 17.5 m -68.19 -35.96 73.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 120.104 1.32 . . . . 0.0 111.876 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -58.96 -51.36 70.37 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.292 0.951 . . . . 0.0 110.24 171.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.9 -44.66 74.35 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.799 0.84 . . . . 0.0 110.787 176.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 16.3 tmm? -62.39 -42.68 99.61 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.725 0.81 . . . . 0.0 109.936 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -56.6 -50.53 71.72 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 122.813 0.445 . . . . 0.0 109.965 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -54.6 -48.69 71.85 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.738 0.415 . . . . 0.0 111.266 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mt -55.86 -60.95 2.73 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.302 0.641 . . . . 0.0 110.517 174.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -65.54 -18.79 65.59 Favored 'General case' 0 C--O 1.227 -0.113 0 CA-C-O 118.247 -0.882 . . . . 0.0 113.016 -174.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 . . . . . 0 CA--C 1.53 0.2 0 C-N-CA 124.767 1.227 . . . . 0.0 111.495 177.557 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 10.1 p -101.9 119.55 50.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 125.193 1.397 . . . . 0.0 108.178 168.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -79.96 146.34 32.12 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -39.61 -55.82 1.79 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.953 1.701 . . . . 0.0 113.756 -173.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -59.81 -41.14 90.6 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.587 -0.696 . . . . 0.0 110.838 -175.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -69.94 -35.82 74.81 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.329 0.652 . . . . 0.0 109.965 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -56.46 -51.94 66.55 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.282 0.492 . . . . 0.0 110.424 169.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 30.8 mm -57.14 -49.38 79.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 118.468 0.576 . . . . 0.0 109.833 177.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 33.4 m -53.7 -47.55 70.41 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.016 0.436 . . . . 0.0 110.381 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -61.18 -43.48 98.81 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 121.489 -0.757 . . . . 0.0 110.654 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 80.0 mt -58.29 -34.27 70.35 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.204 0.911 . . . . 0.0 110.623 173.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.99 -42.89 98.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 121.698 -0.626 . . . . 0.0 111.87 168.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.95 -47.41 85.03 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.081 -1.247 . . . . 0.0 110.26 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.4 tp -54.83 -48.08 73.3 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.027 1.331 . . . . 0.0 109.71 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.459 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -57.31 -48.94 77.66 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.931 0.893 . . . . 0.0 110.896 175.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 56.2 ttp -60.51 -40.88 93.01 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 122.233 -0.292 . . . . 0.0 111.134 178.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 68.0 mt -60.82 -41.54 89.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 124.085 0.954 . . . . 0.0 109.512 174.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -73.35 52.81 0.38 Allowed 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.673 0.669 . . . . 0.0 110.117 169.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -55.47 -33.43 63.65 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 124.882 1.273 . . . . 0.0 112.846 -168.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -47.9 -38.47 16.48 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.126 0.97 . . . . 0.0 111.475 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.98 -34.96 78.64 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.947 0.499 . . . . 0.0 111.67 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 29.9 mt -76.64 -50.94 12.54 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -56.42 -44.84 80.76 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.729 0.412 . . . . 0.0 111.432 -177.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.208 0 CA-C-O 117.435 -1.758 . . . . 0.0 111.234 -177.751 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.448 -0.526 0 CA-C-O 117.71 -1.138 . . . . 0.0 113.439 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -53.47 -50.45 13.82 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.839 2.359 . . . . 0.0 112.941 -175.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.7 tp -72.17 -45.23 61.28 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 119.419 -0.912 . . . . 0.0 109.671 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -52.89 -47.65 67.76 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 122.37 0.268 . . . . 0.0 111.124 -176.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -64.24 -39.52 94.12 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.073 -0.392 . . . . 0.0 110.896 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.85 -53.24 53.72 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.398 0.545 . . . . 0.0 111.509 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.6 pt -57.75 -47.32 86.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 175.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.51 -44.3 5.18 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.277 1.418 . . . . 0.0 112.81 171.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -61.05 2.7 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.421 1.089 . . . . 0.0 110.105 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mp -52.84 -47.84 67.47 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.644 0.777 . . . . 0.0 109.994 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.65 -48.09 88.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -176.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.29 -52.52 51.14 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 124.602 1.096 . . . . 0.0 110.418 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.4 mt -46.43 -54.84 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.16 0 C-N-CA 123.409 0.684 . . . . 0.0 109.397 174.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -58.25 -62.76 1.6 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -66.59 -26.33 67.05 Favored 'General case' 0 C--O 1.226 -0.135 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -169.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -59.28 -53.2 60.96 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 169.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -67.07 -41.18 86.85 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -178.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.3 m -55.83 -58.45 7.79 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 169.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.589 0 C-N-CA 126.368 1.937 . . . . 0.0 112.837 178.564 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 . . . . . 0 CA--C 1.536 0.422 0 CA-C-O 121.034 0.445 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.4 p -138.94 161.62 36.88 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.986 1.714 . . . . 0.0 107.902 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 tt -148.14 125.85 11.84 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -176.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.34 174.66 11.35 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -168.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -60.36 -66.96 0.44 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 122.423 1.106 . . . . 0.0 112.029 -171.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -71.63 -27.94 63.44 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.583 -0.698 . . . . 0.0 109.737 -176.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -58.28 -45.7 87.41 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 171.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.503 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.5 tm? -60.97 -48.27 82.59 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 174.238 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -55.61 -43.95 76.58 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 118.795 -1.162 . . . . 0.0 110.831 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -57.4 -48.09 79.99 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.073 0.949 . . . . 0.0 110.44 176.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 tt -47.87 -53.93 14.15 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 123.506 0.722 . . . . 0.0 109.717 172.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.9 mt -60.55 -50.21 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 O-C-N 121.42 -0.8 . . . . 0.0 111.122 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -61.08 -31.92 71.58 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.276 -0.89 . . . . 0.0 111.419 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.91 -54.69 8.04 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.609 0.641 . . . . 0.0 112.032 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -80.63 -47.12 14.56 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.569 0.747 . . . . 0.0 112.431 -172.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 N--CA 1.461 0.085 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -176.078 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t70 . . . . . 0 CA--C 1.529 0.138 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.08 -45.87 68.36 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.017 0.527 . . . . 0.0 111.159 176.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -63.23 -46.3 87.6 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.9 mm -55.78 -46.7 79.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.886 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.27 13.9 m -68.1 -37.44 78.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 119.954 1.252 . . . . 0.0 112.102 -176.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -60.81 -50.49 73.25 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.952 0.797 . . . . 0.0 110.084 171.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -53.7 -44.45 69.8 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.523 -0.736 . . . . 0.0 111.242 176.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -63.28 -46.43 86.85 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 125.129 1.372 . . . . 0.0 109.733 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -53.01 -51.46 61.6 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 170.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -62.76 -32.24 73.34 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.653 -0.655 . . . . 0.0 112.305 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mt -66.52 -65.04 0.73 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 170.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -61.66 -30.95 71.05 Favored 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -170.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.5 ttp85 -29.93 -52.99 0.15 Allowed 'General case' 0 C--N 1.342 0.251 0 C-N-CA 127.302 2.241 . . . . 0.0 110.56 174.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -27.3 -56.88 0.1 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 127.1 2.16 . . . . 0.0 114.326 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -137.04 54.83 1.85 Allowed 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 170.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 p30 39.14 -82.44 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.359 2.264 . . . . 0.0 114.562 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -52.99 -38.73 62.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.258 1.023 . . . . 0.0 112.251 176.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -140.62 152.89 45.78 Favored 'General case' 0 C--N 1.34 0.191 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -173.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.5 p -89.9 132.94 33.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 167.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.2 153.46 24.73 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 118.447 0.567 . . . . 0.0 110.003 173.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -44.78 -52.18 8.69 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.294 1.038 . . . . 0.0 113.687 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -55.58 -48.45 74.81 Favored 'General case' 0 C--O 1.232 0.183 0 O-C-N 121.731 -0.606 . . . . 0.0 110.059 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -73.07 -30.29 63.58 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.414 -173.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -55.86 -53.96 50.46 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 168.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 20.5 mm -58.45 -49.67 81.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 118.226 0.467 . . . . 0.0 109.983 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.2 m -52.02 -50.34 61.58 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.521 0.728 . . . . 0.0 110.238 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -62.71 -44.76 95.4 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.202 1.001 . . . . 0.0 110.388 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.7 mt -57.65 -36.4 71.83 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 118.941 0.791 . . . . 0.0 110.425 173.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.65 -50.91 58.27 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 169.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.73 -46.69 77.72 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 117.703 0.752 . . . . 0.0 111.413 176.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.4 tp -57.12 -49.17 76.73 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.216 1.006 . . . . 0.0 109.846 177.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.05 -37.0 81.07 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.197 0.999 . . . . 0.0 110.514 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.554 ' HA ' HD11 ' A' ' 88' ' ' LEU . 32.8 ttp -70.12 -41.28 74.16 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.473 0.709 . . . . 0.0 111.177 176.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.9 mt -58.08 -37.7 63.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 173.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -72.19 60.13 0.41 Allowed 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.345 0.593 . . . . 0.0 111.663 169.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -48.36 -39.2 21.37 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.763 1.225 . . . . 0.0 111.536 171.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -50.0 -50.73 46.16 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.585 0.354 . . . . 0.0 110.271 173.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.92 -47.46 83.15 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.554 HD11 ' HA ' ' A' ' 82' ' ' MET . 41.5 mt . . . . . 0 CA--C 1.532 0.251 0 CA-C-N 117.676 0.217 . . . . 0.0 111.266 176.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -56.58 -42.05 69.46 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.778 2.319 . . . . 0.0 113.39 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.6 tp -80.48 -44.46 19.14 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -49.11 -46.49 44.97 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 123.705 0.802 . . . . 0.0 110.688 -177.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -63.44 -34.26 77.37 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.816 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.78 -50.14 21.99 Favored 'General case' 0 CA--C 1.53 0.173 0 O-C-N 121.581 -0.699 . . . . 0.0 111.265 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 44.1 pt -59.22 -40.2 80.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 119.485 -0.886 . . . . 0.0 109.201 172.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.2 -42.16 48.47 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.207 1.385 . . . . 0.0 112.206 170.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.03 -60.9 2.82 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 118.34 1.07 . . . . 0.0 109.678 178.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 12.2 mt -46.05 -50.71 14.83 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.186 0.994 . . . . 0.0 110.665 175.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mm -56.69 -55.78 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.104 0.961 . . . . 0.0 109.887 178.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.51 -50.25 61.12 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 124.693 1.14 . . . . 0.0 110.351 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.6 mt -55.06 -58.32 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -52.23 -58.13 7.57 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.578 0.228 . . . . 0.0 110.887 -175.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -66.98 -27.03 67.11 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 118.193 -0.908 . . . . 0.0 112.842 -174.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -55.62 -51.2 68.0 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.798 1.181 . . . . 0.0 108.597 169.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -67.95 -42.88 80.26 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.905 -0.569 . . . . 0.0 111.554 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.0 m -54.54 -51.54 64.87 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 119.167 0.894 . . . . 0.0 110.487 173.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 C-N-CA 124.45 1.024 . . . . 0.0 113.098 -176.691 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 . . . . . 0 CA--C 1.535 0.381 0 CA-C-O 121.102 0.477 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 18.5 p -139.46 152.52 47.08 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.993 1.717 . . . . 0.0 109.255 -171.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.18 129.39 39.71 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 125.332 1.453 . . . . 0.0 108.606 172.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 7.7 m -78.53 151.42 32.51 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 119.171 0.896 . . . . 0.0 109.636 174.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 pptp? -49.23 -46.64 46.18 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.896 1.278 . . . . 0.0 113.981 -168.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -26.62 51.72 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.627 -0.671 . . . . 0.0 110.65 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.18 -41.81 89.74 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 172.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.532 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.6 tm? -56.67 -49.12 75.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 169.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -54.96 -42.98 73.04 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 119.058 -1.057 . . . . 0.0 110.823 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -56.77 -49.71 74.46 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.036 0.534 . . . . 0.0 110.85 174.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 tt -49.16 -52.54 25.85 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 124.18 0.992 . . . . 0.0 109.876 175.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 65.7 mt -60.58 -55.11 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -51.62 -41.44 61.27 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 117.971 0.35 . . . . 0.0 111.705 -175.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -80.85 -53.58 6.35 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.259 0.481 . . . . 0.0 112.255 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -81.26 -28.37 34.78 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -168.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 CA--C 1.533 0.321 0 C-N-CA 126.581 1.952 . . . . 0.0 107.764 178.531 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.79 -48.89 69.36 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.333 0.587 . . . . 0.0 110.946 170.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.87 -41.44 99.39 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 37.4 mm -55.11 -47.76 76.87 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.247 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.984 174.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.286 12.1 m -67.24 -37.03 78.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 120.049 1.295 . . . . 0.0 112.526 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -58.12 -51.44 69.71 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.065 0.848 . . . . 0.0 110.297 171.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.7 -44.91 73.83 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.996 1.318 . . . . 0.0 110.908 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.3 tmm? -60.24 -45.81 91.97 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.469 1.108 . . . . 0.0 109.655 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -55.76 -49.84 72.03 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.008 0.367 . . . . 0.0 110.204 173.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -57.74 -45.44 85.84 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.728 0.411 . . . . 0.0 111.351 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 mt -57.6 -58.67 7.28 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.372 0.669 . . . . 0.0 110.052 173.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.97 -17.48 60.53 Favored 'General case' 0 N--CA 1.462 0.148 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -169.382 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.173 0 C-N-CA 123.995 0.918 . . . . 0.0 109.779 173.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 . . . . . 0 CA--C 1.536 0.441 0 CA-C-O 121.357 0.598 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 t -99.05 115.55 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 127.231 2.212 . . . . 0.0 106.557 171.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -79.87 146.11 32.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 119.229 0.922 . . . . 0.0 109.326 170.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -39.85 -51.37 2.43 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.665 1.186 . . . . 0.0 113.521 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -55.48 -44.12 76.18 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.638 -0.664 . . . . 0.0 111.042 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -76.65 -32.46 58.0 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.802 0.441 . . . . 0.0 111.012 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -54.34 -52.67 60.83 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 168.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.1 mm -58.57 -52.86 54.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 O-C-N 122.055 -0.403 . . . . 0.0 110.682 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 32.2 m -50.99 -48.99 61.15 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.326 0.584 . . . . 0.0 110.719 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -63.56 -44.48 94.0 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.303 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 78.0 mt -56.64 -36.46 69.52 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.084 0.856 . . . . 0.0 110.337 173.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.45 -51.08 58.58 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 169.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.4 -42.39 82.16 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 117.924 0.862 . . . . 0.0 111.645 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.5 tp -58.64 -48.61 80.43 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.438 1.095 . . . . 0.0 109.438 177.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.79 -44.2 81.66 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.889 0.476 . . . . 0.0 110.416 173.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 33.7 ttp -61.82 -40.34 94.94 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.855 0.462 . . . . 0.0 111.352 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 86.5 mt -59.39 -44.41 92.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 171.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -71.98 60.05 0.38 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.981 0.912 . . . . 0.0 112.335 175.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -42.26 -41.97 2.94 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 127.054 2.142 . . . . 0.0 111.62 170.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -52.88 -50.82 63.07 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.269 1.028 . . . . 0.0 110.028 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.12 -43.86 94.02 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.874 0.469 . . . . 0.0 110.005 177.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 60.5 mt -50.47 -51.77 44.14 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 117.911 0.323 . . . . 0.0 110.683 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.93 -45.39 74.44 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 110.544 -0.169 . . . . 0.0 110.544 178.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.067 -1.963 . . . . 0.0 110.922 176.042 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.449 -0.5 0 CA-C-O 118.593 -0.717 . . . . 0.0 112.797 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -59.66 -34.72 96.29 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 121.908 1.739 . . . . 0.0 113.814 -177.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.9 tp -81.91 -46.19 14.4 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 171.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -50.34 -45.62 55.13 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 123.427 0.691 . . . . 0.0 110.885 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -55.84 -42.65 76.1 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 120.605 0.24 . . . . 0.0 111.254 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.49 -52.0 25.05 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.986 -0.446 . . . . 0.0 110.233 -173.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.0 pt -57.54 -43.24 82.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 119.715 -0.794 . . . . 0.0 109.074 173.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.52 -45.1 17.07 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 125.177 1.37 . . . . 0.0 112.052 171.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.48 -60.64 3.35 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.882 0.873 . . . . 0.0 110.592 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mp -51.47 -49.61 61.45 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.667 0.787 . . . . 0.0 109.599 177.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.1 mt -57.94 -50.7 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.571 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.36 -55.19 31.76 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.0 mt -46.94 -52.77 3.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.342 0.657 . . . . 0.0 109.288 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -60.89 -55.84 28.18 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.383 0.611 . . . . 0.0 111.919 -177.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -68.44 -29.57 68.26 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.927 -0.559 . . . . 0.0 111.513 -170.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -57.66 -53.98 52.01 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.839 0.745 . . . . 0.0 109.965 170.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -65.4 -36.89 85.31 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 122.092 -0.38 . . . . 0.0 111.89 -177.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.9 m -59.06 -52.94 63.59 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.156 0.503 . . . . 0.0 109.77 172.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.577 0 C-N-CA 124.849 1.214 . . . . 0.0 111.428 -179.613 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.876 0.37 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.3 m -155.34 150.3 26.67 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -149.69 155.93 41.03 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.816 0.735 . . . . 0.0 110.932 173.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.2 t -78.05 154.68 31.18 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 124.171 0.988 . . . . 0.0 111.695 -168.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -49.8 -49.29 49.19 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.929 0.892 . . . . 0.0 113.065 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -70.44 -32.52 70.13 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.029 -1.044 . . . . 0.0 110.54 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.65 -40.52 97.05 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 174.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.489 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.4 tm? -58.14 -48.98 78.56 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.326 0.65 . . . . 0.0 109.545 171.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -52.36 -48.63 65.43 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.107 173.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -58.21 -35.63 71.95 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.071 0.548 . . . . 0.0 112.048 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.84 -58.97 6.24 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.029 0.932 . . . . 0.0 109.407 170.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.8 mt -54.68 -52.21 43.71 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-O 119.111 -0.471 . . . . 0.0 110.611 -176.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -58.87 -31.01 68.17 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 119.05 0.841 . . . . 0.0 112.073 -175.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -80.45 -43.36 21.05 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 119.16 0.891 . . . . 0.0 112.033 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -75.39 -67.0 0.7 Allowed 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 122.373 1.083 . . . . 0.0 109.138 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--N 1.326 -0.443 0 C-N-CA 124.866 1.266 . . . . 0.0 107.625 -179.578 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.1 t70 . . . . . 0 N--CA 1.466 0.359 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.01 -47.6 61.6 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.173 0.589 . . . . 0.0 111.092 174.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -65.59 -41.17 93.15 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.5 mm -55.1 -46.5 77.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.043 174.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.263 13.6 m -71.38 -32.7 47.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 120.474 1.488 . . . . 0.0 112.86 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -59.27 -51.26 70.74 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.513 1.051 . . . . 0.0 109.714 169.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.12 -42.46 80.92 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.146 0.978 . . . . 0.0 110.952 176.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 62.0 ttp -58.26 -49.89 75.51 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.517 1.127 . . . . 0.0 108.755 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -53.1 -50.13 65.06 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 175.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -58.93 -42.06 88.85 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.913 -0.492 . . . . 0.0 112.032 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 mt -64.45 -52.77 56.33 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.413 0.685 . . . . 0.0 111.161 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -71.91 -30.67 65.6 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.073 0.549 . . . . 0.0 112.223 -173.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -49.18 -42.02 38.59 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 123.776 0.83 . . . . 0.0 110.673 -173.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -53.08 -27.24 19.28 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.542 1.137 . . . . 0.0 112.582 -177.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -141.85 51.28 1.53 Allowed 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 167.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 p30 42.88 -89.93 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.07 2.148 . . . . 0.0 114.847 176.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -70.32 -25.56 63.37 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.375 1.47 . . . . 0.0 111.699 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -136.51 156.32 48.75 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.636 0.774 . . . . 0.0 110.726 -168.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.5 p -100.34 126.02 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 170.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -82.19 147.03 29.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 173.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -43.02 -51.78 5.55 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.693 1.197 . . . . 0.0 113.455 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -58.91 -40.11 83.53 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.506 -0.747 . . . . 0.0 110.46 -178.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -73.92 -37.08 64.72 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 123.736 0.815 . . . . 0.0 109.595 -176.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -55.13 -54.63 40.81 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.36 0.664 . . . . 0.0 109.919 169.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.8 mm -55.8 -54.76 22.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.9 m -49.64 -49.9 45.25 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 123.472 0.709 . . . . 0.0 111.047 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -64.85 -42.44 94.9 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 118.983 -0.532 . . . . 0.0 110.73 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.4 mt -57.3 -36.7 71.41 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.757 1.162 . . . . 0.0 110.074 172.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.09 -50.38 64.78 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 169.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.67 -47.71 73.27 Favored 'General case' 0 C--O 1.224 -0.256 0 O-C-N 121.97 -0.723 . . . . 0.0 110.897 175.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.4 tp -57.47 -47.62 81.39 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.941 1.297 . . . . 0.0 109.773 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.517 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -57.96 -44.48 87.07 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.668 0.787 . . . . 0.0 110.701 177.081 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.1 ttp -61.6 -47.66 84.47 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.9 mt -60.58 -33.82 56.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 125.04 1.336 . . . . 0.0 111.026 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -50.88 -36.91 40.49 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.017 0.826 . . . . 0.0 110.752 171.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 65.76 -67.25 0.14 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 127.655 2.382 . . . . 0.0 111.264 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -54.72 -35.08 63.29 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.079 1.352 . . . . 0.0 110.932 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.67 -35.97 69.02 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.823 0.449 . . . . 0.0 112.178 175.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 175.163 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -54.22 -44.23 51.29 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.163 2.576 . . . . 0.0 112.998 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 56.0 tp -74.43 -49.56 21.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 119.422 -0.911 . . . . 0.0 109.281 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -53.9 -43.86 70.05 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 119.537 -0.268 . . . . 0.0 111.272 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -63.94 -37.89 89.06 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.45 0.568 . . . . 0.0 111.634 176.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.48 -53.89 36.12 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.791 -0.568 . . . . 0.0 110.632 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 26.8 pt -57.44 -42.15 80.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 174.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.94 -45.77 9.26 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 125.226 1.393 . . . . 0.0 112.678 169.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.89 -59.83 4.64 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.096 0.958 . . . . 0.0 109.715 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -53.18 -46.26 68.87 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.601 0.76 . . . . 0.0 110.294 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.517 HD11 ' HB1' ' A' ' 81' ' ' ALA . 57.1 mt -59.59 -52.87 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.772 0.829 . . . . 0.0 109.761 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.71 -55.37 30.35 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 mt -50.18 -48.54 24.07 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -62.83 -65.73 0.64 Allowed 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.42 0.628 . . . . 0.0 111.71 -178.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.85 -24.63 65.28 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -166.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -60.48 -46.07 91.42 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.196 0.907 . . . . 0.0 109.895 169.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -67.68 -44.63 77.35 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.942 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 35.0 m -49.36 -46.18 46.77 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 119.208 0.913 . . . . 0.0 110.347 170.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 C-N-CA 125.633 1.587 . . . . 0.0 113.891 177.282 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 . . . . . 0 CA--C 1.539 0.521 0 CA-C-O 121.736 0.779 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 4.4 t -157.77 158.07 34.58 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 127.423 2.289 . . . . 0.0 105.758 -177.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 tt -148.6 129.33 14.17 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -168.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 7.9 p -78.72 166.44 22.48 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.93 0.786 . . . . 0.0 112.702 -169.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -60.64 -57.87 10.88 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -169.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -69.51 -33.08 72.31 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.318 -0.864 . . . . 0.0 110.001 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -59.02 -45.15 91.43 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.835 0.854 . . . . 0.0 109.792 174.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.487 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.5 tm? -57.94 -49.71 75.84 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.522 0.729 . . . . 0.0 109.115 170.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -52.71 -42.94 65.31 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.281 -0.887 . . . . 0.0 110.712 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -65.55 -39.42 91.69 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.256 1.422 . . . . 0.0 111.793 177.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tt -53.6 -53.49 51.0 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 169.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 52.9 mt -58.67 -52.98 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-O 118.929 -0.557 . . . . 0.0 109.71 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -56.94 -37.99 72.29 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.867 0.758 . . . . 0.0 111.448 -174.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -75.85 -59.85 2.58 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.088 176.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -74.49 -52.06 13.02 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.007 0.432 . . . . 0.0 111.2 -168.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--N 1.33 -0.253 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 179.338 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 t70 . . . . . 0 C--O 1.227 -0.128 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.38 -45.81 62.6 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.129 0.571 . . . . 0.0 111.137 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -65.11 -44.72 87.85 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 36.6 mm -55.78 -47.31 79.61 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 CA-C-O 118.734 -0.651 . . . . 0.0 110.469 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.263 17.4 m -72.74 -31.47 36.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 119.423 1.011 . . . . 0.0 112.728 -177.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -61.05 -50.76 72.02 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.732 1.151 . . . . 0.0 109.402 169.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 tt -54.18 -45.26 72.07 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.416 0.686 . . . . 0.0 111.029 175.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 60.3 ttp -57.57 -53.12 61.74 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 124.6 1.16 . . . . 0.0 108.848 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.02 -51.96 37.9 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 123.516 0.726 . . . . 0.0 110.117 175.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -58.31 -45.44 88.03 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 122.028 -0.42 . . . . 0.0 111.721 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.3 mt -57.96 -66.06 0.54 Allowed 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 172.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.04 -17.75 63.94 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -168.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 31.4 ttp-105 . . . . . 0 N--CA 1.454 -0.259 0 CA-C-N 118.283 0.492 . . . . 0.0 110.287 173.077 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.777 0.322 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 7.8 p -98.19 126.18 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 168.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -81.39 144.23 31.58 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -46.07 -60.96 1.97 Allowed 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -169.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -52.24 -42.16 63.38 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.238 0.542 . . . . 0.0 110.577 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -70.99 -34.57 71.51 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.595 0.758 . . . . 0.0 110.522 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.12 -47.36 83.53 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 169.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.5 mm -57.88 -51.93 64.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 85.9 m -49.15 -49.02 44.3 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 121.612 -0.68 . . . . 0.0 111.468 174.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.71 -45.21 92.83 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 119.441 -0.314 . . . . 0.0 110.322 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 78.6 mt -58.59 -35.37 72.32 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.914 0.779 . . . . 0.0 110.935 173.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.44 -50.6 63.65 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 169.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.39 -41.15 79.71 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.796 -0.826 . . . . 0.0 110.777 174.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.0 tp -61.62 -44.98 95.97 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.816 0.846 . . . . 0.0 110.059 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.55 -50.75 67.16 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.584 0.753 . . . . 0.0 110.114 172.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 10.6 tpt -55.88 -45.88 78.45 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 60.6 mt -64.83 -45.36 95.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 C-N-CA 124.414 1.085 . . . . 0.0 110.403 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -53.83 -41.99 67.99 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.28 0.491 . . . . 0.0 109.85 175.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 9.7 t30 71.21 -60.47 0.51 Allowed 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 125.675 1.59 . . . . 0.0 113.295 168.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -50.1 -44.23 51.95 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.604 0.762 . . . . 0.0 109.86 176.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.23 -43.25 10.18 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.516 1.126 . . . . 0.0 112.208 173.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 26.2 mt -61.91 -40.41 95.37 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 123.617 0.767 . . . . 0.0 110.481 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -71.88 -42.88 66.28 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.415 -1.769 . . . . 0.0 110.325 174.566 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.415 0 CA-C-O 117.504 -1.236 . . . . 0.0 111.54 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -39.62 -53.96 2.1 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 124.34 3.36 . . . . 0.0 115.206 172.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.9 tp -68.1 -50.27 55.99 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 117.956 -1.498 . . . . 0.0 110.493 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -51.48 -47.24 63.26 Favored 'General case' 0 CA--C 1.527 0.071 0 C-N-CA 123.64 0.776 . . . . 0.0 110.917 -176.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -64.89 -38.6 91.5 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 122.05 -0.406 . . . . 0.0 111.067 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.43 -54.45 36.35 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.753 -0.592 . . . . 0.0 111.234 178.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.4 pt -57.8 -42.92 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.11 -47.06 8.16 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 125.339 1.447 . . . . 0.0 112.36 169.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.59 -58.53 7.64 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.302 1.041 . . . . 0.0 109.833 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -53.77 -46.77 71.07 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 123.352 0.661 . . . . 0.0 110.189 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.424 HD11 ' HB1' ' B' ' 81' ' ' ALA . 43.6 mt -63.2 -48.82 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 122.855 0.462 . . . . 0.0 109.774 -176.165 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.8 -51.72 57.41 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.4 mt -51.33 -49.99 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 117.148 0.474 . . . . 0.0 109.782 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -58.04 -61.16 2.75 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.136 0.493 . . . . 0.0 110.522 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -65.91 -29.85 70.34 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -169.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -53.7 -44.18 69.57 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 171.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -78.61 -39.67 36.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 118.569 -0.729 . . . . 0.0 111.505 179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 m -52.55 -33.92 47.79 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.593 1.088 . . . . 0.0 111.577 169.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.196 0 C-N-CA 124.14 0.876 . . . . 0.0 112.43 171.356 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 . . . . . 0 CA--C 1.536 0.41 0 CA-C-O 122.115 0.96 . . . . 0.0 112.796 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 p -145.19 163.53 34.11 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 127.552 2.341 . . . . 0.0 106.637 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 tt -147.04 124.58 11.72 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -178.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.2 t -79.69 179.21 7.64 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -172.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -67.9 -69.98 0.29 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.318 1.047 . . . . 0.0 110.948 -169.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -62.96 -33.32 75.12 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.479 -0.763 . . . . 0.0 109.797 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -54.73 -47.73 73.42 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.796 0.839 . . . . 0.0 110.183 173.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.468 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.9 tm? -58.42 -52.97 63.39 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.15 0.58 . . . . 0.0 110.355 175.03 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.2 ptmm? -62.0 -31.03 71.37 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 117.214 -1.794 . . . . 0.0 111.254 -177.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.07 -51.6 68.95 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.864 0.466 . . . . 0.0 110.133 170.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -46.07 -55.31 7.11 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.662 0.785 . . . . 0.0 109.198 173.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.8 mt -59.32 -46.89 92.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 122.583 0.353 . . . . 0.0 111.397 -177.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -60.8 -40.1 91.42 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.612 -0.68 . . . . 0.0 111.53 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -69.47 -53.02 21.27 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.141 0.882 . . . . 0.0 111.685 176.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -80.62 -45.32 17.48 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -168.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.0 mt . . . . . 0 CA--C 1.528 0.131 0 C-N-CA 123.272 0.629 . . . . 0.0 110.779 -177.829 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 t70 . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.18 -47.54 54.49 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.325 0.65 . . . . 0.0 111.221 173.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -64.94 -41.87 95.13 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.4 mm -56.22 -48.64 79.11 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-O 118.944 -0.551 . . . . 0.0 110.401 175.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.3 m -70.04 -33.0 53.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 119.588 1.086 . . . . 0.0 112.143 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -59.52 -52.18 66.69 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.014 0.824 . . . . 0.0 109.964 170.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tt -55.11 -45.5 75.49 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.034 0.934 . . . . 0.0 110.849 176.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.8 ttp -56.15 -53.01 62.26 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.674 1.19 . . . . 0.0 108.763 177.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -51.65 -50.61 60.0 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -61.5 -29.65 70.12 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -178.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mt -71.33 -59.9 2.52 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.487 0.715 . . . . 0.0 110.578 171.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -65.27 -34.09 77.52 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.523 -0.736 . . . . 0.0 112.838 -173.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.3 ttp85 -44.22 -44.73 8.07 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 125.821 1.648 . . . . 0.0 111.047 -176.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -52.95 -31.14 38.71 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.725 0.81 . . . . 0.0 112.334 -175.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -135.28 50.4 2.14 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 168.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.2 p30 45.89 -85.47 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 127.407 2.283 . . . . 0.0 114.392 176.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -76.34 -36.98 57.95 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.045 0.938 . . . . 0.0 111.452 -170.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -128.33 154.06 46.35 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 124.452 1.101 . . . . 0.0 108.949 -176.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 p -90.95 130.29 40.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 166.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -82.56 150.82 26.7 Favored 'General case' 0 N--CA 1.458 -0.052 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -39.79 -55.19 2.0 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.854 1.262 . . . . 0.0 113.771 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -61.9 -41.66 98.17 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 121.183 -0.948 . . . . 0.0 110.689 -177.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -66.69 -36.65 83.0 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 122.318 -0.239 . . . . 0.0 110.65 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.72 -50.64 72.54 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.803 0.441 . . . . 0.0 110.233 170.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.6 mm -57.09 -53.22 46.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-N 118.64 0.654 . . . . 0.0 110.124 177.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.6 m -51.13 -48.12 61.86 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.749 -0.595 . . . . 0.0 111.296 176.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -60.59 -45.42 94.03 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.236 -0.29 . . . . 0.0 110.435 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.0 mt -58.41 -35.41 72.01 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.81 0.732 . . . . 0.0 110.576 174.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.1 -51.84 54.99 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 169.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.58 -46.31 77.27 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.732 -0.863 . . . . 0.0 110.844 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.5 tp -57.89 -45.49 86.34 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.279 1.031 . . . . 0.0 110.409 178.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.9 -45.49 78.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 121.979 -0.451 . . . . 0.0 110.011 172.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.1 ttp -60.11 -39.58 86.69 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 119.165 -0.445 . . . . 0.0 111.581 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 34.6 mm -55.22 -48.83 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 119.18 0.9 . . . . 0.0 108.743 169.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -71.92 39.44 0.07 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.397 1.079 . . . . 0.0 112.721 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -35.72 -42.68 0.26 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 128.329 2.652 . . . . 0.0 113.991 177.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -49.46 -41.43 40.28 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.413 0.685 . . . . 0.0 112.107 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.24 77.34 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.455 0.702 . . . . 0.0 111.655 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 N--CA 1.452 -0.348 0 C-N-CA 123.568 0.747 . . . . 0.0 109.244 -174.858 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.99 -46.47 13.12 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.992 1.795 . . . . 0.0 112.76 -174.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 42.3 tp -77.82 -44.98 25.72 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -50.66 -47.65 58.57 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.891 0.876 . . . . 0.0 110.767 -177.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -62.24 -39.04 91.52 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.145 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.1 -52.21 37.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.092 -0.38 . . . . 0.0 110.98 -177.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 37.1 pt -57.55 -47.19 85.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 174.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.49 -46.37 5.64 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.931 1.253 . . . . 0.0 112.219 171.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.456 ' CD1' HD12 ' B' ' 15' ' ' ILE . 0.3 OUTLIER -54.91 -59.38 4.82 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.061 0.945 . . . . 0.0 110.541 177.723 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mp -54.23 -46.22 72.49 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.397 0.679 . . . . 0.0 110.625 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.98 -48.31 89.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -176.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.78 -56.64 24.07 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.456 HD12 ' CD1' ' B' ' 11' ' ' LEU . 5.0 mt -49.43 -44.53 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 123.686 0.795 . . . . 0.0 110.869 177.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -62.08 -62.5 1.74 Allowed 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.2 0.524 . . . . 0.0 111.064 177.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -67.29 -28.75 68.28 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 122.065 -0.397 . . . . 0.0 112.006 -169.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -49.36 -45.79 46.21 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 124.914 1.286 . . . . 0.0 109.263 168.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -76.98 -54.08 7.01 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.689 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.4 m -46.36 -48.27 18.5 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.722 1.146 . . . . 0.0 111.948 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 C-N-CA 124.452 1.025 . . . . 0.0 113.108 178.994 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 . . . . . 0 CA--C 1.537 0.474 0 CA-C-O 121.629 0.728 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.74 158.04 43.82 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 127.204 2.201 . . . . 0.0 107.556 -169.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 89.2 mt -135.27 136.69 41.87 Favored 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 170.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.0 m -78.3 154.1 31.18 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 170.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -61.42 -42.15 98.3 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 120.891 -1.13 . . . . 0.0 113.622 -169.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -68.79 -39.3 80.23 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.019 -1.051 . . . . 0.0 111.093 178.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -56.39 -48.12 77.56 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.579 HD13 ' C ' ' B' ' 34' ' ' LEU . 0.7 OUTLIER -55.83 -44.41 77.91 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.773 0.829 . . . . 0.0 110.049 172.111 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 67.5 tttt -53.65 -46.96 70.74 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 120.635 -1.291 . . . . 0.0 109.876 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.82 -36.85 82.37 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.544 0.738 . . . . 0.0 111.701 177.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.8 -56.71 17.28 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 169.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 51.9 mt -57.22 -47.57 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 119.235 -0.412 . . . . 0.0 110.521 -176.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -57.56 -39.07 75.86 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.602 0.637 . . . . 0.0 111.296 -174.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -81.36 -56.2 4.21 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.203 0.525 . . . . 0.0 111.277 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -80.48 -26.0 38.49 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.469 1.508 . . . . 0.0 114.132 -167.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 59.7 mt . . . . . 0 C--N 1.331 -0.23 0 N-CA-C 105.104 -2.184 . . . . 0.0 105.104 168.55 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 . . . . . 0 N--CA 1.456 -0.148 0 N-CA-C 110.762 -0.088 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.34 -46.54 62.69 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.034 0.933 . . . . 0.0 111.041 175.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -66.54 -43.55 84.82 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 41.4 mm -55.19 -49.07 75.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 118.654 -0.688 . . . . 0.0 110.197 174.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.276 16.7 m -70.4 -33.2 52.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 120.024 1.284 . . . . 0.0 112.945 -177.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -57.76 -50.55 72.88 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.386 0.994 . . . . 0.0 109.144 169.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tt -56.6 -42.05 78.08 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.812 -0.555 . . . . 0.0 111.277 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.445 ' HG2' HD12 ' B' ' 34' ' ' LEU . 60.9 mtp -58.94 -48.5 81.27 Favored 'General case' 0 C--O 1.221 -0.432 0 O-C-N 121.48 -0.763 . . . . 0.0 110.067 175.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -52.83 -50.57 63.45 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 175.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -57.39 -43.04 83.34 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 122.82 0.448 . . . . 0.0 112.043 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.32 -57.29 10.85 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.564 0.62 . . . . 0.0 110.749 173.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.39 -9.84 51.04 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.688 1.195 . . . . 0.0 113.038 -172.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 21.4 mmt-85 . . . . . 0 N--CA 1.467 0.387 0 C-N-CA 124.184 0.994 . . . . 0.0 110.169 166.236 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 . . . . . 0 C--O 1.233 0.207 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 t -101.85 145.85 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 128.091 2.556 . . . . 0.0 106.848 172.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -111.35 146.35 37.26 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.812 0.845 . . . . 0.0 108.79 171.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -39.83 -57.04 1.65 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.631 1.572 . . . . 0.0 114.374 -171.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -57.78 -39.3 77.16 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.313 -0.867 . . . . 0.0 111.333 -178.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -74.7 -35.48 62.72 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.418 0.687 . . . . 0.0 109.246 -177.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -55.96 -52.9 62.54 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 169.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 25.1 mm -55.94 -52.49 48.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 89.2 m -52.96 -46.34 68.15 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.745 0.418 . . . . 0.0 111.283 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -62.96 -43.85 97.65 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 121.962 -0.461 . . . . 0.0 110.501 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 73.7 mt -57.03 -32.04 65.76 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.211 0.914 . . . . 0.0 110.362 172.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.98 -51.69 57.78 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 168.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.48 -46.9 73.49 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.202 -1.175 . . . . 0.0 111.149 174.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 6.9 tp -58.42 -43.18 88.57 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.282 -0.886 . . . . 0.0 110.235 177.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.424 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -58.55 -35.4 72.27 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 121.688 -0.632 . . . . 0.0 111.199 172.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 90.0 mtp -66.03 -41.28 91.11 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.89 0.768 . . . . 0.0 111.602 170.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 45.1 mm -55.1 -39.27 49.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 118.518 0.599 . . . . 0.0 109.734 171.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -72.4 57.96 0.39 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 122.424 1.107 . . . . 0.0 109.853 170.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -47.6 -35.8 9.79 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 127.345 2.258 . . . . 0.0 111.473 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.8 mp0 -57.84 -45.64 85.94 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.448 0.699 . . . . 0.0 109.652 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.57 -41.26 79.97 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 122.976 0.511 . . . . 0.0 109.989 177.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 37.1 mt -53.09 -47.53 68.49 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.749 0.704 . . . . 0.0 110.996 173.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -64.12 -45.4 88.73 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.844 -1.531 . . . . 0.0 111.64 175.961 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -60.57 -33.92 93.07 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.223 1.948 . . . . 0.0 113.6 -176.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.0 tp -81.8 -45.86 14.99 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 172.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -50.11 -46.92 54.12 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 124.091 0.956 . . . . 0.0 110.778 -175.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -55.02 -42.43 72.58 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.614 0.245 . . . . 0.0 111.441 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.43 -52.78 19.8 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.929 -0.482 . . . . 0.0 110.332 -173.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.8 pt -57.35 -42.31 80.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.86 -46.95 19.46 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 125.329 1.442 . . . . 0.0 112.162 171.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.67 -60.2 3.78 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.878 0.871 . . . . 0.0 110.259 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mp -53.26 -45.2 68.71 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.644 0.777 . . . . 0.0 110.299 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.536 HD11 ' HB1' ' B' ' 81' ' ' ALA . 50.2 mt -63.5 -48.35 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 122.705 0.402 . . . . 0.0 110.186 -177.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.72 -52.71 51.52 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.6 mt -50.86 -53.18 14.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -56.71 -57.69 11.33 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.257 0.551 . . . . 0.0 111.649 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -78.38 -16.83 57.25 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -168.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -56.9 -54.83 42.1 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 168.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -70.9 -42.24 70.2 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.742 -178.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m -65.27 -32.55 74.28 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.386 -0.821 . . . . 0.0 110.953 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.785 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 170.706 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.6 t -155.71 140.46 17.09 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 105.176 -2.157 . . . . 0.0 105.176 -176.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.3 mt -98.65 129.54 45.14 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -178.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.6 t -78.35 172.82 13.05 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.36 0.6 . . . . 0.0 109.514 171.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -56.99 -63.12 1.31 Allowed 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 125.057 1.343 . . . . 0.0 112.179 -168.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -37.6 85.73 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -178.042 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -61.42 -45.83 92.67 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.594 -0.692 . . . . 0.0 110.686 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.508 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.6 tm? -57.66 -50.75 72.15 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -49.6 -47.36 49.58 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.794 -0.566 . . . . 0.0 110.329 175.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -58.28 -49.47 77.03 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.836 0.854 . . . . 0.0 110.707 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 tt -49.38 -51.34 35.5 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.444 0.698 . . . . 0.0 109.425 173.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.7 mt -63.77 -45.06 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-O 118.631 -0.7 . . . . 0.0 111.777 -178.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -56.71 -40.92 76.5 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.937 1.244 . . . . 0.0 110.595 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -50.34 42.68 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.734 -0.604 . . . . 0.0 111.274 176.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -66.74 -59.28 3.71 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.564 1.146 . . . . 0.0 110.67 -173.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.2 mt . . . . . 0 N--CA 1.453 -0.315 0 C-N-CA 126.94 2.096 . . . . 0.0 107.826 -176.624 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 . . . . . 0 C--O 1.226 -0.156 0 CA-C-O 118.793 -0.623 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.47 -50.96 64.21 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.472 0.578 . . . . 0.0 111.201 171.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -61.1 -44.17 97.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.9 mm -57.88 -45.83 87.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 118.597 -0.716 . . . . 0.0 111.007 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.1 m -68.25 -34.85 68.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 120.161 1.346 . . . . 0.0 111.482 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -58.66 -52.25 66.49 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.086 0.857 . . . . 0.0 110.045 171.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.42 -43.99 75.83 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.53 0.732 . . . . 0.0 110.821 176.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -58.84 -43.4 90.72 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.63 0.772 . . . . 0.0 109.926 176.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.03 -47.63 85.06 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 175.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -54.45 -47.58 72.74 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.793 -0.567 . . . . 0.0 111.098 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mt -56.12 -57.2 13.19 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.504 0.721 . . . . 0.0 110.632 174.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.7 p30 -66.7 -27.35 67.57 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 121.156 -0.965 . . . . 0.0 112.98 -172.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -45.45 -41.59 9.57 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.527 1.131 . . . . 0.0 111.609 -177.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -36.79 -40.5 0.27 Allowed 'General case' 0 C--N 1.344 0.352 0 C-N-CA 125.391 1.476 . . . . 0.0 113.094 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -150.82 59.13 0.93 Allowed 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 173.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 p30 44.44 -80.4 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.627 1.971 . . . . 0.0 114.753 172.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -75.52 -34.18 60.77 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.173 0.989 . . . . 0.0 113.409 -174.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -133.41 151.61 51.83 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.3 0.955 . . . . 0.0 113.251 -169.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.0 t -93.7 100.89 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 126.86 2.064 . . . . 0.0 109.187 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -79.56 148.91 31.57 Favored 'General case' 0 C--N 1.333 -0.115 0 O-C-N 121.923 -0.486 . . . . 0.0 110.759 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -43.46 -62.4 1.09 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -169.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -59.6 -30.95 69.04 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.419 -0.801 . . . . 0.0 111.255 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -75.4 -37.42 60.52 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.876 0.47 . . . . 0.0 109.83 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -55.79 -51.96 65.64 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 168.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.5 mm -55.91 -52.52 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.1 m -54.78 -46.04 74.35 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.257 0.623 . . . . 0.0 111.149 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -61.88 -44.19 97.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 121.939 -0.476 . . . . 0.0 110.425 177.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.7 mt -56.5 -35.39 67.95 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.905 0.775 . . . . 0.0 110.446 172.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.74 -52.52 50.15 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 168.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.76 -44.56 73.74 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.318 -1.107 . . . . 0.0 111.188 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.1 tp -58.61 -46.54 86.81 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.12 0.968 . . . . 0.0 110.027 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.468 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -57.74 -46.18 84.82 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.627 0.771 . . . . 0.0 110.973 175.334 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 35.6 tpp -60.03 -44.61 94.5 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.173 -0.33 . . . . 0.0 110.871 176.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.5 mt -59.08 -41.58 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.708 0.803 . . . . 0.0 109.443 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -72.52 56.99 0.39 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.167 0.587 . . . . 0.0 109.873 169.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -62.34 -26.48 68.47 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 121.086 -1.009 . . . . 0.0 112.313 -169.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -56.1 -49.32 74.19 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 122.966 0.506 . . . . 0.0 110.159 169.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.05 -43.62 98.14 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.326 0 O-C-N 123.424 0.452 . . . . 0.0 110.376 177.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -59.35 -34.14 97.68 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.067 1.844 . . . . 0.0 113.912 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 65.4 tp -81.75 -45.37 15.75 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.437 0.562 . . . . 0.0 109.986 172.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -49.85 -46.26 51.19 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 123.738 0.815 . . . . 0.0 110.61 -175.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -55.61 -42.59 75.07 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 120.669 0.271 . . . . 0.0 111.343 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.04 -53.21 15.52 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 121.865 -0.522 . . . . 0.0 110.476 -173.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.6 pt -56.82 -42.45 77.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 119.399 -0.92 . . . . 0.0 108.979 173.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.33 -43.12 26.41 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 125.531 1.539 . . . . 0.0 112.47 173.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -62.36 1.9 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.121 0.96 . . . . 0.0 110.039 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -51.22 -47.14 62.39 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.99 0.916 . . . . 0.0 110.257 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.468 HD11 ' HB1' ' A' ' 81' ' ' ALA . 62.4 mt -60.96 -51.93 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 123.018 0.527 . . . . 0.0 109.925 -177.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.28 -55.08 28.31 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 10.2 mt -48.45 -54.99 3.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -59.85 -53.52 56.9 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.232 0.539 . . . . 0.0 111.982 -175.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -74.73 -29.45 61.18 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 121.973 -0.454 . . . . 0.0 111.686 -169.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -57.08 -52.83 63.73 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 170.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -59.67 -46.87 87.75 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 119.355 -0.355 . . . . 0.0 111.14 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 18.6 m -51.21 -45.1 61.78 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.698 0.761 . . . . 0.0 111.366 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.925 0 C-N-CA 123.942 0.782 . . . . 0.0 113.109 178.38 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 . . . . . 0 CA--C 1.536 0.442 0 CA-C-O 121.506 0.669 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 29.2 m -154.84 114.02 3.66 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.77 1.228 . . . . 0.0 109.814 -173.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 29.6 mt -79.94 166.0 22.07 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 34.0 p -100.15 152.27 20.45 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 167.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -51.69 -43.45 62.78 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -172.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -73.0 -33.1 65.58 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.439 -0.788 . . . . 0.0 110.858 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.05 -39.68 93.67 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.227 -0.92 . . . . 0.0 109.619 172.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.465 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.0 tm? -56.32 -47.56 78.51 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 170.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -52.8 -48.46 66.87 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 120.775 -1.203 . . . . 0.0 111.069 172.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -58.45 -36.01 73.03 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 122.737 0.415 . . . . 0.0 111.793 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.25 -56.42 21.8 Favored 'General case' 0 N--CA 1.458 -0.053 0 C-N-CA 123.953 0.901 . . . . 0.0 109.383 170.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 51.4 mt -56.21 -50.04 73.12 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 C-N-CA 122.639 0.376 . . . . 0.0 111.155 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -56.18 -39.3 72.17 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.629 0.65 . . . . 0.0 110.712 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -72.46 -53.91 10.8 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 121.92 -0.488 . . . . 0.0 111.477 177.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -78.38 -49.84 12.81 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 122.199 -0.313 . . . . 0.0 111.222 -169.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.0 mt . . . . . 0 CA--C 1.532 0.287 0 C-N-CA 126.767 2.027 . . . . 0.0 108.528 -176.474 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 . . . . . 0 CA--C 1.533 0.301 0 CA-C-O 119.553 -0.261 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.47 -48.48 77.0 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.392 0.615 . . . . 0.0 111.103 172.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -62.1 -42.09 98.87 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 24.1 mm -56.8 -45.27 83.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 CA-C-O 117.689 -1.148 . . . . 0.0 110.926 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.267 7.1 m -67.97 -33.73 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 121.008 1.731 . . . . 0.0 112.656 178.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -59.93 -50.43 73.81 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.368 0.986 . . . . 0.0 110.221 170.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -60.95 -41.24 95.93 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.652 0.781 . . . . 0.0 110.889 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 24.6 ttp -57.76 -53.09 62.16 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 125.192 1.397 . . . . 0.0 108.458 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -50.84 -50.07 57.49 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.986 0.514 . . . . 0.0 109.973 175.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -58.32 -45.38 88.16 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.965 -0.459 . . . . 0.0 112.176 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.1 mt -60.19 -52.59 64.65 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.499 0.72 . . . . 0.0 110.903 175.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.33 -19.59 46.18 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -169.037 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 28.9 ttm105 . . . . . 0 CA--C 1.528 0.118 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.077 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 39.9 t -123.86 103.93 13.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -77.72 150.82 34.38 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -44.82 -49.52 10.74 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -56.2 -47.94 77.39 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.796 -0.565 . . . . 0.0 110.161 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -62.98 -43.84 97.68 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.823 0.849 . . . . 0.0 109.553 -176.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -53.16 -55.77 21.55 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.813 0.845 . . . . 0.0 110.658 172.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.1 mm -57.97 -54.58 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 118.673 0.67 . . . . 0.0 110.353 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 96.2 m -51.85 -45.62 64.1 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.728 0.811 . . . . 0.0 111.57 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -64.85 -45.18 87.17 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 122.076 -0.39 . . . . 0.0 110.381 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 76.7 mt -57.21 -34.08 68.17 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.503 -0.748 . . . . 0.0 110.236 173.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.35 -50.58 63.64 Favored Glycine 0 CA--C 1.532 1.136 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 169.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.31 -49.93 68.53 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.804 -0.821 . . . . 0.0 110.639 173.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.7 tp -58.76 -42.01 87.9 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.609 0.764 . . . . 0.0 110.931 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.536 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -57.54 -44.47 85.18 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 121.757 -0.59 . . . . 0.0 110.266 173.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 20.8 ttt -64.31 -39.91 94.86 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.307 -0.246 . . . . 0.0 111.29 176.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 11.2 mm -55.65 -45.83 79.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -73.29 55.7 0.46 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.315 0.646 . . . . 0.0 110.57 172.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -49.95 -39.53 40.85 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.241 1.416 . . . . 0.0 112.306 -173.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -40.99 -45.2 2.54 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.918 1.287 . . . . 0.0 112.293 172.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.9 -34.28 67.76 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.391 0.677 . . . . 0.0 111.596 -178.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 60.9 mt -57.98 -26.72 62.7 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.092 0.557 . . . . 0.0 111.302 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -73.48 -17.44 61.23 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.558 -0.714 . . . . 0.0 110.809 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 117.168 -1.907 . . . . 0.0 111.166 176.517 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 117.732 -1.128 . . . . 0.0 113.663 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -51.68 -48.4 21.61 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.356 2.704 . . . . 0.0 112.619 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.4 tp -70.78 -45.78 64.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.626 -0.671 . . . . 0.0 109.392 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -53.13 -49.59 66.25 Favored 'General case' 0 N--CA 1.458 -0.063 0 C-N-CA 122.79 0.436 . . . . 0.0 110.479 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -62.04 -40.18 94.84 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.173 -0.329 . . . . 0.0 110.876 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.81 -55.66 27.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.51 0.596 . . . . 0.0 111.476 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 pt -57.79 -43.08 83.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.81 -41.65 20.52 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.56 1.552 . . . . 0.0 112.873 170.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.39 -58.91 5.94 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.222 1.011 . . . . 0.0 109.715 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -50.38 -48.41 55.89 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.802 0.841 . . . . 0.0 109.362 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.45 HD11 ' HB1' ' B' ' 81' ' ' ALA . 68.4 mt -58.23 -52.81 54.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 C-N-CA 122.671 0.389 . . . . 0.0 110.346 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.8 -54.75 29.12 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.1 mt -51.56 -56.37 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -53.14 -53.18 54.32 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.924 0.393 . . . . 0.0 111.452 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -72.14 -28.16 63.07 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 118.424 -0.798 . . . . 0.0 112.743 -172.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -59.03 -55.02 40.49 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.436 1.016 . . . . 0.0 108.919 169.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -61.57 -46.89 87.96 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.761 -178.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.4 m -60.02 -52.15 66.59 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.772 -0.58 . . . . 0.0 109.751 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.722 0 C-N-CA 124.642 1.115 . . . . 0.0 111.805 177.756 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.0 m170 . . . . . 0 CA--C 1.538 0.486 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.6 t -155.79 143.72 19.79 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.564 -0.71 . . . . 0.0 109.962 -178.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.7 mt -105.49 139.27 40.36 Favored 'General case' 0 CA--C 1.522 -0.122 0 C-N-CA 125.071 1.348 . . . . 0.0 108.287 169.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.4 p -79.68 155.64 27.94 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.559 0.618 . . . . 0.0 109.963 169.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -48.8 -50.29 34.95 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.772 1.229 . . . . 0.0 113.557 -171.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -76.55 -28.28 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.92 -0.487 . . . . 0.0 110.38 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -66.13 -40.37 90.6 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 173.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.506 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.1 tm? -56.23 -51.18 69.01 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 170.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -53.08 -45.83 68.35 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.083 -1.011 . . . . 0.0 110.672 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -55.3 -48.34 74.24 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.021 0.528 . . . . 0.0 110.537 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 tt -50.37 -55.1 17.1 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 124.155 0.982 . . . . 0.0 109.291 176.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.98 -51.69 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.278 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -63.94 -25.15 68.01 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 118.633 -0.699 . . . . 0.0 112.277 -175.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.86 -57.08 3.71 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 119.387 0.994 . . . . 0.0 110.803 170.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -65.3 -65.09 0.72 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.979 0.895 . . . . 0.0 109.185 -174.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 C--N 1.33 -0.265 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 -178.814 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t70 . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.39 -50.33 40.77 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.47 0.577 . . . . 0.0 111.98 170.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -64.31 -41.58 96.77 Favored 'General case' 0 C--O 1.231 0.119 0 O-C-N 121.25 -0.906 . . . . 0.0 109.407 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.8 mm -58.35 -38.21 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 118.357 -0.83 . . . . 0.0 110.854 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.251 7.9 m -68.85 -37.59 77.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 120.118 1.327 . . . . 0.0 112.529 176.269 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -60.65 -51.53 69.0 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.36 0.982 . . . . 0.0 109.595 172.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 tt -53.42 -45.43 69.38 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.289 0.636 . . . . 0.0 111.129 175.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -62.15 -42.96 99.76 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.114 0.965 . . . . 0.0 109.641 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -56.79 -47.65 79.69 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -61.21 -43.27 99.15 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.924 -0.485 . . . . 0.0 111.631 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mt -60.5 -59.77 4.88 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.079 0.552 . . . . 0.0 110.434 173.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -69.82 -21.77 63.36 Favored 'General case' 0 N--CA 1.46 0.074 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -169.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.9 ttp-105 -29.92 -55.08 0.17 Allowed 'General case' 0 C--N 1.342 0.242 0 C-N-CA 126.165 1.786 . . . . 0.0 110.456 169.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -32.72 -51.21 0.28 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 126.831 2.052 . . . . 0.0 114.57 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -135.75 54.86 1.89 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 173.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.267 4.3 p30 52.81 -64.39 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 128.241 2.616 . . . . 0.0 115.998 176.287 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -120.93 1.66 10.44 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.583 1.953 . . . . 0.0 111.543 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -129.99 150.14 51.4 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.617 0.767 . . . . 0.0 110.182 176.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.2 t -107.05 123.83 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 174.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -79.3 154.41 29.13 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 120.415 1.461 . . . . 0.0 109.822 170.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -43.32 -53.55 5.18 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 174.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -66.3 -36.14 82.19 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 120.969 -1.082 . . . . 0.0 110.897 -175.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -59.46 -50.15 75.06 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 171.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -52.86 -52.22 58.16 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.579 0.352 . . . . 0.0 110.283 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.5 mm -57.12 -54.39 30.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 118.082 0.401 . . . . 0.0 110.336 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.2 m -48.15 -51.63 24.11 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.597 0.759 . . . . 0.0 111.081 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -64.76 -40.44 95.29 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 123.818 0.847 . . . . 0.0 110.428 -178.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.5 mt -57.95 -35.37 71.04 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.667 1.122 . . . . 0.0 110.168 171.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.75 -51.36 58.47 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 168.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.76 -42.2 71.38 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.947 -0.737 . . . . 0.0 110.944 175.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.9 tp -62.13 -44.9 95.61 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.793 1.237 . . . . 0.0 109.774 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.04 -49.2 72.18 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.189 0.596 . . . . 0.0 110.025 172.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -43.74 88.75 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 122.826 0.451 . . . . 0.0 111.014 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.1 mt -66.03 -44.28 92.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 124.644 1.178 . . . . 0.0 110.419 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -53.88 -45.97 71.22 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 171.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 72.45 -57.25 0.63 Allowed 'General case' 0 C--O 1.228 -0.059 0 C-N-CA 125.841 1.656 . . . . 0.0 113.945 166.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -52.36 -40.73 62.36 Favored 'General case' 0 CA--C 1.529 0.163 0 O-C-N 121.824 -0.547 . . . . 0.0 109.61 173.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.09 -39.02 8.74 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.531 1.133 . . . . 0.0 112.526 173.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.0 mt . . . . . 0 CA--C 1.532 0.262 0 C-N-CA 123.092 0.557 . . . . 0.0 110.882 179.858 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -51.92 -44.72 43.31 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.529 2.153 . . . . 0.0 113.0 177.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.1 tp -65.78 -47.63 74.51 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 119.334 -0.946 . . . . 0.0 110.23 177.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -53.32 -50.0 65.89 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.7 0.8 . . . . 0.0 110.086 -177.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -61.14 -40.74 94.95 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.07 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.5 -55.16 34.14 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.664 0.665 . . . . 0.0 111.811 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 31.0 pt -57.71 -44.24 85.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.07 -45.39 9.62 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 125.324 1.44 . . . . 0.0 112.454 170.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.72 -59.74 4.75 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.227 1.011 . . . . 0.0 109.99 -178.1 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 mp -51.68 -49.52 62.22 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.661 0.784 . . . . 0.0 109.719 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.68 -47.68 88.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.307 -176.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.42 -56.67 23.16 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.8 mt -45.57 -50.37 3.49 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 C-N-CA 123.581 0.752 . . . . 0.0 109.317 177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -59.48 -65.19 0.71 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.649 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -64.63 -32.95 74.84 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -168.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -56.85 -43.9 81.61 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 173.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -69.19 -47.71 64.14 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 118.301 -0.857 . . . . 0.0 111.423 175.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.5 m -47.7 -44.45 27.6 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 119.598 1.09 . . . . 0.0 111.778 177.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.286 0 C-N-CA 123.882 0.753 . . . . 0.0 113.853 177.068 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 . . . . . 0 CA--C 1.536 0.429 0 CA-C-O 121.001 0.429 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 80.5 p -142.31 159.27 42.56 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.079 1.351 . . . . 0.0 109.695 -176.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 89.8 mt -130.71 130.64 44.08 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 168.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.5 t -78.82 178.39 7.97 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.375 0.534 . . . . 0.0 110.042 173.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -63.6 -64.42 0.9 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.716 0.806 . . . . 0.0 111.142 -169.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -66.19 -33.26 75.36 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.651 -0.655 . . . . 0.0 110.531 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -55.86 -51.3 68.03 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.349 0.659 . . . . 0.0 109.635 173.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.486 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.3 tm? -58.21 -47.5 83.28 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.207 0.603 . . . . 0.0 109.529 174.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -56.79 -39.35 73.92 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 120.846 -1.159 . . . . 0.0 111.233 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -65.03 -34.27 78.03 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.726 0.81 . . . . 0.0 111.144 177.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 tt -58.97 -55.97 28.32 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 169.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 54.5 mt -57.2 -53.47 43.05 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 CA-C-O 119.499 -0.286 . . . . 0.0 110.598 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -52.43 -35.14 51.49 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 118.219 0.463 . . . . 0.0 111.686 -178.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -74.13 -61.15 1.96 Allowed 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 117.748 0.249 . . . . 0.0 110.801 175.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -68.87 -63.18 1.11 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 122.182 0.991 . . . . 0.0 109.244 -172.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 46.5 mt . . . . . 0 C--N 1.325 -0.458 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 178.663 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 14.1 t70 . . . . . 0 CA--C 1.53 0.208 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.54 -45.85 69.97 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.459 0.647 . . . . 0.0 110.89 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -64.92 -42.19 94.9 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 26.3 mm -56.65 -48.31 80.89 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 CA-C-O 117.888 -1.053 . . . . 0.0 111.078 174.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.257 7.2 m -67.77 -33.82 63.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 120.606 1.548 . . . . 0.0 112.177 -178.338 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -60.19 -49.47 77.48 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.123 0.874 . . . . 0.0 110.163 170.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.12 -41.43 88.2 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.89 0.876 . . . . 0.0 111.575 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 51.6 ttp -58.14 -53.9 52.99 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.978 1.311 . . . . 0.0 107.992 175.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -50.44 -51.71 44.37 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 123.645 0.59 . . . . 0.0 109.506 175.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -53.78 -51.55 63.07 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.771 0.714 . . . . 0.0 111.925 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.7 mt -53.96 -59.92 4.01 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.377 0.671 . . . . 0.0 110.609 177.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -67.49 -32.35 73.11 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -173.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 45.2 ttm105 . . . . . 0 C--N 1.34 0.159 0 C-N-CA 124.043 0.937 . . . . 0.0 110.911 -170.892 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 . . . . . 0 C--O 1.224 -0.266 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 10.6 p -103.63 129.4 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 166.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -84.59 154.8 22.38 Favored 'General case' 0 CA--C 1.526 0.044 0 O-C-N 121.99 -0.444 . . . . 0.0 109.878 175.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -40.77 -51.8 3.05 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.751 1.22 . . . . 0.0 114.072 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.0 tp60 -59.8 -45.56 91.92 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.193 -0.942 . . . . 0.0 110.436 -178.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.08 -40.24 94.38 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.688 0.795 . . . . 0.0 109.671 -178.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -55.01 -53.62 53.47 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.401 0.681 . . . . 0.0 110.331 172.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.0 mm -57.6 -53.04 49.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 118.257 0.48 . . . . 0.0 109.924 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 61.7 m -51.77 -47.16 64.29 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.911 -0.493 . . . . 0.0 111.499 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -61.72 -46.2 90.67 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 122.554 0.342 . . . . 0.0 110.217 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 79.1 mt -57.73 -36.33 71.9 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.605 0.639 . . . . 0.0 110.53 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.69 -51.26 57.87 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 169.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.15 -44.21 83.21 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.712 -0.876 . . . . 0.0 110.943 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 tp -57.4 -48.83 78.07 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.285 1.034 . . . . 0.0 109.81 177.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.45 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -58.82 -41.1 86.07 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.719 0.807 . . . . 0.0 111.016 176.191 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 21.5 ttt -66.36 -41.37 89.58 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.975 -0.453 . . . . 0.0 111.085 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 66.6 mt -59.96 -40.28 82.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.758 0.823 . . . . 0.0 109.203 173.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -71.42 55.39 0.23 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.513 0.725 . . . . 0.0 110.211 169.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -27.46 68.61 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 120.9 -1.125 . . . . 0.0 111.219 -170.229 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -56.76 -36.57 69.94 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.714 -0.616 . . . . 0.0 111.729 172.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.55 89.13 Favored 'General case' 0 CA--C 1.528 0.12 0 O-C-N 121.969 -0.457 . . . . 0.0 109.877 175.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 mt -60.13 -45.67 92.24 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.486 176.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.85 -46.64 89.78 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.311 0.645 . . . . 0.0 110.357 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.094 0 CA-C-O 116.95 -2.028 . . . . 0.0 111.109 -173.935 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.64 0 CA-C-O 117.52 -1.228 . . . . 0.0 112.818 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -53.63 -46.63 32.32 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.815 2.343 . . . . 0.0 113.048 179.306 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 tp -74.2 -45.82 45.9 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.217 178.807 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -53.05 -46.8 68.69 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 122.702 0.401 . . . . 0.0 110.708 -176.205 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -62.91 -37.24 86.19 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.068 -0.395 . . . . 0.0 111.306 177.791 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.67 -52.57 29.66 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.733 -0.604 . . . . 0.0 111.088 -178.712 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.6 pt -57.75 -42.8 82.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 173.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.58 -41.73 18.9 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 125.418 1.485 . . . . 0.0 112.628 170.274 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.15 -58.3 7.68 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.581 1.191 . . . . 0.0 109.661 178.769 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mp -51.51 -47.08 63.43 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 122.963 0.505 . . . . 0.0 110.018 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -60.28 -57.69 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 178.661 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.68 -50.06 26.33 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 124.814 1.197 . . . . 0.0 111.553 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.1 mt -54.0 -60.17 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 175.212 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.12 -51.73 56.0 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 121.411 0.624 . . . . 0.0 111.226 -176.147 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -73.24 -26.74 61.24 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 117.917 -1.04 . . . . 0.0 112.663 -172.263 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -70.8 -42.79 69.85 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.476 1.489 . . . . 0.0 110.069 171.51 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -64.65 -44.34 90.76 Favored 'General case' 0 C--N 1.34 0.172 0 O-C-N 121.758 -0.589 . . . . 0.0 111.256 177.945 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.5 t -55.63 -52.14 64.81 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 170.108 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.608 0 C-N-CA 126.369 1.938 . . . . 0.0 112.698 175.82 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 . . . . . 0 CA--C 1.537 0.481 0 CA-C-O 120.839 0.352 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.2 p -145.5 144.39 30.53 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 126.408 1.883 . . . . 0.0 107.846 -172.64 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 pp -143.09 150.35 39.39 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.108 0.413 . . . . 0.0 110.653 168.639 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.0 m -78.12 156.38 29.98 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -167.792 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -42.88 -54.89 3.96 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 126.531 1.933 . . . . 0.0 112.517 -178.791 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -70.84 -32.14 69.08 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.741 -0.599 . . . . 0.0 110.914 -178.164 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -64.8 -40.14 94.74 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.436 -0.79 . . . . 0.0 109.158 176.067 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.536 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.8 tm? -57.24 -50.59 72.4 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 170.358 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -54.12 -42.55 69.6 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 120.918 -1.114 . . . . 0.0 111.382 176.69 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -58.11 -50.1 74.65 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tt -49.47 -55.5 13.0 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 124.512 1.125 . . . . 0.0 110.178 176.61 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.16 -56.49 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -177.398 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -56.24 -34.14 66.06 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 118.998 -0.525 . . . . 0.0 111.576 -174.408 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -78.09 -59.52 2.75 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 118.565 0.62 . . . . 0.0 110.745 176.355 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -73.72 -49.51 25.33 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 123.19 0.596 . . . . 0.0 111.655 -168.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.333 -0.134 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 176.236 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 . . . . . 0 C--O 1.226 -0.178 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.31 -48.69 55.1 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.02 0.928 . . . . 0.0 111.496 173.137 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -60.41 -47.61 85.33 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 176.407 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.3 mm -56.3 -44.45 79.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.644 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.2 m -71.95 -34.42 50.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 120.18 1.355 . . . . 0.0 112.687 179.566 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.29 -51.51 69.66 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.551 1.069 . . . . 0.0 109.71 171.709 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 tt -57.68 -43.4 85.04 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.676 0.791 . . . . 0.0 110.927 176.909 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 45.7 ttp -57.11 -47.69 80.46 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 123.62 0.768 . . . . 0.0 108.957 175.64 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -55.08 -49.11 72.49 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 118.294 0.497 . . . . 0.0 109.87 175.936 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -54.41 -47.25 72.98 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 177.537 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.1 -61.9 2.27 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 122.992 0.517 . . . . 0.0 110.665 174.912 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -65.91 -12.43 54.63 Favored 'General case' 0 C--O 1.228 -0.072 0 C-N-CA 124.511 1.125 . . . . 0.0 113.628 -174.383 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -48.62 -28.22 3.34 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.859 0.754 . . . . 0.0 110.083 168.272 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -38.69 -53.49 1.64 Allowed 'General case' 0 C--N 1.342 0.271 0 C-N-CA 124.964 1.306 . . . . 0.0 112.468 167.749 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 pttp 179.11 153.53 0.41 Allowed 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 127.155 2.182 . . . . 0.0 109.055 178.27 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -53.0 142.86 18.61 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.404 0.682 . . . . 0.0 111.249 -177.399 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 72.41 -58.2 0.6 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.375 1.87 . . . . 0.0 113.357 170.165 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -108.13 118.8 37.7 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.752 1.221 . . . . 0.0 112.053 -169.657 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.0 t -79.79 123.75 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 168.22 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -86.57 146.52 26.32 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.026 0.53 . . . . 0.0 110.827 178.219 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -40.64 -54.63 2.54 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.057 1.743 . . . . 0.0 113.524 177.572 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -58.31 -46.69 85.68 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.75 -0.594 . . . . 0.0 110.089 -175.849 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -70.01 -35.23 74.21 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -176.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -53.54 -55.27 27.01 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 119.266 -0.397 . . . . 0.0 110.287 169.272 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 21.0 mm -57.69 -51.34 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 118.998 0.817 . . . . 0.0 110.28 178.785 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.8 m -49.3 -51.8 31.64 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.515 0.726 . . . . 0.0 110.205 179.33 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -63.77 -42.38 97.81 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 123.127 0.571 . . . . 0.0 110.786 -178.824 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.0 mt -56.19 -37.04 69.06 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.236 0.926 . . . . 0.0 110.516 173.771 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.421 ' CA ' HG21 ' B' ' 74' ' ' ILE . . . -55.22 -51.49 53.76 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.611 -0.595 . . . . 0.0 111.611 169.476 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.3 84.87 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.223 -0.575 . . . . 0.0 110.664 177.177 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 tp -56.13 -48.58 75.95 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.361 1.064 . . . . 0.0 109.927 178.55 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.425 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -57.5 -49.72 75.41 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.323 0.649 . . . . 0.0 110.828 176.143 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -55.68 -46.58 77.57 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.047 0.539 . . . . 0.0 110.642 178.865 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.3 mt -66.32 -45.55 89.35 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 125.144 1.377 . . . . 0.0 110.463 -177.938 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -51.64 -50.69 59.8 Favored 'General case' 0 C--N 1.34 0.17 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 172.548 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 71.46 -54.85 0.67 Allowed 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 125.871 1.668 . . . . 0.0 114.193 168.005 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -51.45 -36.8 45.7 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.432 1.093 . . . . 0.0 110.411 171.537 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.53 -44.68 62.71 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.42 0.688 . . . . 0.0 111.277 171.477 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.6 mt . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 174.924 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.445 -0.678 0 CA-C-O 116.938 -1.506 . . . . 0.0 114.054 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -55.63 -52.05 8.44 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.201 1.934 . . . . 0.0 112.962 -173.081 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -71.33 -45.26 63.41 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.772 178.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -53.11 -48.09 68.12 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 122.272 0.229 . . . . 0.0 111.312 -176.804 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -64.52 -37.87 89.06 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 118.111 0.414 . . . . 0.0 110.77 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.4 -54.03 34.63 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 121.779 -0.575 . . . . 0.0 111.419 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 30.1 pt -56.96 -43.41 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 175.099 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.22 -40.94 14.99 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 125.917 1.722 . . . . 0.0 113.095 171.013 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.411 ' CD1' HD12 ' B' ' 15' ' ' ILE . 0.4 OUTLIER -63.07 -60.73 3.05 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.55 1.175 . . . . 0.0 109.619 179.791 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -49.66 -48.92 49.08 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.78 0.832 . . . . 0.0 109.708 178.244 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.425 HD11 ' HB1' ' A' ' 81' ' ' ALA . 64.5 mt -57.97 -55.57 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 123.715 0.806 . . . . 0.0 110.075 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.21 -54.04 31.41 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -178.256 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.411 HD12 ' CD1' ' B' ' 11' ' ' LEU . 6.9 mt -51.26 -57.62 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 177.883 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -53.11 -60.15 3.65 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.459 0.647 . . . . 0.0 111.613 -176.715 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -26.15 65.56 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 118.74 -0.648 . . . . 0.0 111.596 -169.145 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -58.38 -55.55 33.59 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.31 0.959 . . . . 0.0 109.3 169.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -59.24 -48.97 79.65 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.48 -179.754 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.8 m -50.59 -50.96 52.54 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.378 0.99 . . . . 0.0 111.526 172.486 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.721 0 C-N-CA 124.897 1.237 . . . . 0.0 111.801 179.357 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 . . . . . 0 CA--C 1.536 0.421 0 CA-C-O 120.622 0.249 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 20.9 m -155.2 155.65 34.26 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.233 1.813 . . . . 0.0 106.568 -177.157 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.0 tt -150.83 134.03 16.12 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.084 0.954 . . . . 0.0 108.519 -168.807 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.2 t -78.73 175.73 10.17 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 122.198 0.999 . . . . 0.0 113.517 -172.123 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -66.59 -71.65 0.19 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 127.363 2.265 . . . . 0.0 111.753 -168.548 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -64.13 -28.79 70.0 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.489 -0.757 . . . . 0.0 109.788 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.14 -40.79 96.91 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 121.737 -0.602 . . . . 0.0 111.03 174.675 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.503 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.3 tm? -54.9 -48.42 73.07 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-N 119.049 0.84 . . . . 0.0 108.82 170.338 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -56.74 -41.59 77.8 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 119.387 -0.925 . . . . 0.0 111.165 177.879 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -56.94 -50.4 72.73 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.089 0.556 . . . . 0.0 110.627 174.486 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tt -48.88 -53.52 19.17 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 123.946 0.898 . . . . 0.0 109.26 174.694 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 50.3 mt -60.96 -57.49 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-O 119.127 -0.463 . . . . 0.0 110.35 -178.03 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -55.88 -40.07 72.44 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.979 0.809 . . . . 0.0 111.998 -176.874 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -80.99 -41.2 23.13 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.725 0.693 . . . . 0.0 112.287 -174.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -81.2 -58.68 2.95 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.36 0.527 . . . . 0.0 110.292 178.836 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 mm? . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -179.071 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 C--O 1.227 -0.127 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.02 -46.83 61.69 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.426 0.69 . . . . 0.0 111.197 175.87 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -66.0 -43.15 88.6 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.563 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 29.1 mm -57.36 -46.51 85.44 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-O 118.66 -0.686 . . . . 0.0 110.619 176.079 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.251 26.1 m -70.95 -32.74 49.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 119.89 1.223 . . . . 0.0 112.406 -179.093 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -59.32 -52.63 64.8 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.355 0.979 . . . . 0.0 109.481 169.608 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.81 -44.95 70.63 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.054 0.941 . . . . 0.0 111.153 176.453 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 54.2 ttp -58.66 -50.47 73.73 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 124.395 1.078 . . . . 0.0 108.985 177.014 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -54.0 -47.57 71.32 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.748 0.819 . . . . 0.0 110.155 177.734 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -58.01 -52.18 66.59 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 122.173 -0.329 . . . . 0.0 110.644 177.405 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -55.27 -51.43 66.67 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.18 0.592 . . . . 0.0 111.22 177.339 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -71.98 -28.98 63.78 Favored 'General case' 0 CA--C 1.529 0.147 0 O-C-N 121.36 -0.837 . . . . 0.0 112.94 -173.555 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.344 0.359 0 C-N-CA 124.365 1.066 . . . . 0.0 111.195 -178.273 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 N--CA 1.448 -0.563 0 CA-C-O 120.753 0.311 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 22.5 t -81.26 113.95 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 169.708 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -77.94 153.45 32.51 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.237 0.926 . . . . 0.0 109.764 175.41 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -50.15 -48.4 53.78 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 176.727 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -58.68 -48.57 80.63 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.553 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -54.89 -48.83 72.51 Favored 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.125 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -52.49 -54.76 28.17 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 119.308 -0.377 . . . . 0.0 110.915 177.591 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.421 HG21 ' CA ' ' A' ' 78' ' ' GLY . 20.2 mm -59.51 -51.18 75.72 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 118.885 0.766 . . . . 0.0 110.623 -179.594 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 32.1 m -52.61 -48.45 66.29 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.751 0.82 . . . . 0.0 110.0 -179.734 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -63.29 -43.01 99.11 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 123.966 0.906 . . . . 0.0 110.287 179.28 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 85.2 mt -58.38 -34.59 70.88 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.477 1.035 . . . . 0.0 110.468 173.589 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.46 -50.57 63.89 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 168.631 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.3 74.71 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.776 -0.838 . . . . 0.0 111.714 174.491 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.2 tp -64.23 -45.07 89.79 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.26 1.024 . . . . 0.0 109.479 178.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.23 -43.96 79.13 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.134 0.574 . . . . 0.0 110.253 171.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 41.7 ttm -61.71 -42.22 98.65 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 122.099 -0.376 . . . . 0.0 111.767 175.099 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 70.9 mt -58.35 -43.1 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 175.005 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -74.73 50.93 0.46 Allowed 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.72 -0.613 . . . . 0.0 109.979 169.386 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.54 -32.45 50.65 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 124.255 1.022 . . . . 0.0 112.618 -167.908 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -50.16 -42.56 51.14 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 122.73 0.412 . . . . 0.0 111.204 176.002 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.07 -33.19 64.79 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.247 0.619 . . . . 0.0 111.146 177.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 16.0 mt -74.29 6.79 3.29 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -179.801 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -93.97 0.14 55.88 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.691 0.678 . . . . 0.0 109.805 167.365 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 117.043 -1.976 . . . . 0.0 110.817 -175.821 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -59.28 -42.03 53.56 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 121.691 1.594 . . . . 0.0 113.176 -174.09 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.3 tp -81.01 -43.64 19.29 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 118.695 0.68 . . . . 0.0 110.077 176.379 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.06 -42.75 63.39 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.909 0.883 . . . . 0.0 111.21 -177.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -58.0 -43.69 86.76 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 119.338 0.972 . . . . 0.0 110.712 176.291 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.17 -54.99 16.09 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 122.324 -0.235 . . . . 0.0 110.617 -174.916 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.8 pt -59.81 -41.88 87.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 119.41 -0.916 . . . . 0.0 109.491 177.161 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.97 -41.5 37.21 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 125.198 1.38 . . . . 0.0 112.157 172.048 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.405 ' CD1' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -60.71 -60.26 4.09 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.546 1.139 . . . . 0.0 109.573 -179.882 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -51.42 -47.06 63.11 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.487 0.715 . . . . 0.0 110.118 178.306 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.482 HD11 ' HB1' ' B' ' 81' ' ' ALA . 70.9 mt -59.47 -52.29 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.394 0.677 . . . . 0.0 110.025 179.89 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.19 -53.32 45.63 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 -178.585 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.405 HD12 ' CD1' ' A' ' 11' ' ' LEU . 7.5 mt -49.4 -55.02 4.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 176.77 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -57.44 -57.24 13.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.998 -175.401 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -72.78 -28.38 62.56 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 118.811 -0.614 . . . . 0.0 111.468 -169.225 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -61.46 -51.45 68.65 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.926 0.785 . . . . 0.0 109.23 170.129 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -59.13 -38.95 80.87 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 178.376 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.1 m -62.56 -50.55 70.86 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.963 -0.46 . . . . 0.0 109.979 175.525 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.752 0 C-N-CA 124.718 1.152 . . . . 0.0 111.79 175.921 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 . . . . . 0 CA--C 1.536 0.424 0 CA-C-O 121.144 0.497 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.2 m -153.34 143.21 22.06 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.399 1.48 . . . . 0.0 107.642 -177.427 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.6 mt -112.49 157.56 20.96 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 125.758 1.623 . . . . 0.0 108.867 174.61 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.2 p -86.33 156.56 20.17 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 166.127 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -40.33 73.86 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.043 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -38.18 64.82 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.328 -0.858 . . . . 0.0 110.468 179.368 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -61.62 -43.56 98.64 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.109 0.868 . . . . 0.0 109.511 175.189 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.548 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -52.5 -49.22 65.19 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 169.331 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -53.69 -43.55 69.01 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.892 -1.13 . . . . 0.0 111.199 178.376 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -46.94 88.71 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.576 0.35 . . . . 0.0 110.895 175.659 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 tt -48.54 -52.96 20.11 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 123.604 0.762 . . . . 0.0 109.5 175.107 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.445 HG21 HD12 ' A' ' 53' ' ' ILE . 69.5 mt -57.4 -52.77 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 176.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.72 -39.53 68.32 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.292 0.496 . . . . 0.0 111.395 -174.787 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.11 -53.39 8.96 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 178.225 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -75.32 -64.31 1.09 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 122.243 1.021 . . . . 0.0 109.239 -174.33 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--N 1.326 -0.451 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -174.175 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 t70 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.08 -44.54 71.27 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.94 0.4 . . . . 0.0 110.139 176.377 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -62.22 -46.27 89.61 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.102 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.445 HD12 HG21 ' A' ' 38' ' ' ILE . 21.7 mm -51.95 -52.37 23.56 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.624 173.59 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.295 15.2 m -70.47 -32.37 49.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 120.241 1.382 . . . . 0.0 112.646 -173.855 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -56.82 -50.56 72.01 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.205 0.911 . . . . 0.0 109.074 169.093 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tt -60.36 -40.66 91.56 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.449 0.699 . . . . 0.0 112.069 178.253 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -36.62 77.26 Favored 'General case' 0 CA--C 1.523 -0.074 0 O-C-N 121.133 -0.979 . . . . 0.0 109.27 -178.51 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.93 -54.27 48.85 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 169.373 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -52.52 -46.87 66.88 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.013 0.37 . . . . 0.0 111.529 -178.188 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 mt -55.75 -66.16 0.47 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.042 0.537 . . . . 0.0 109.957 171.661 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 p30 -59.72 -22.59 62.25 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -171.521 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.7 ttt85 -52.47 -28.86 21.95 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 125.328 1.451 . . . . 0.0 111.511 175.938 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.408 HD21 ' HA ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -49.13 -29.74 5.72 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 172.543 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -128.39 -63.43 0.99 Allowed 'General case' 0 C--N 1.34 0.175 0 C-N-CA 124.358 1.063 . . . . 0.0 110.44 174.22 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 173.46 -54.2 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 127.45 2.3 . . . . 0.0 109.725 179.229 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -143.23 6.6 1.53 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.108 1.363 . . . . 0.0 111.542 -169.065 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -136.16 154.63 50.91 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.755 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.408 ' HA ' HD21 ' A' ' 63' ' ' ASN . 8.1 t -117.67 114.33 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 124.635 1.174 . . . . 0.0 107.993 177.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -78.74 146.85 33.66 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 120.083 -0.647 . . . . 0.0 109.551 175.384 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -42.01 -55.87 3.01 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -60.54 -42.59 96.82 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.64 -0.662 . . . . 0.0 109.637 -174.65 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -69.8 -35.25 74.68 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.704 0.801 . . . . 0.0 110.077 -177.235 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.09 -53.3 57.63 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.196 0.598 . . . . 0.0 109.66 169.593 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.5 mt -62.94 -43.07 98.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 118.896 0.771 . . . . 0.0 111.4 179.083 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.0 m -49.42 -51.49 35.02 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.331 0.586 . . . . 0.0 109.678 173.773 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -61.25 -43.65 98.53 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.917 -0.563 . . . . 0.0 111.172 177.238 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.3 mt -56.04 -32.3 63.92 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.877 1.217 . . . . 0.0 110.856 175.353 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.11 -48.24 86.87 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 121.593 -0.692 . . . . 0.0 111.49 169.114 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.22 86.27 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.767 -0.843 . . . . 0.0 110.986 173.07 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.22 -44.13 97.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 121.555 -0.715 . . . . 0.0 109.973 179.172 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.09 -45.86 83.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.329 0.652 . . . . 0.0 110.395 172.461 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.5 ttt -60.72 -36.45 78.87 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.748 -0.595 . . . . 0.0 112.19 175.585 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.2 mt -69.91 -42.62 79.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.084 0.954 . . . . 0.0 110.498 176.781 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -52.3 -50.91 61.25 Favored 'General case' 0 C--N 1.342 0.246 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 170.55 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 71.61 -59.47 0.55 Allowed 'General case' 0 C--O 1.23 0.068 0 C-N-CA 126.637 1.975 . . . . 0.0 113.524 168.447 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -52.59 -40.09 62.28 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.329 1.052 . . . . 0.0 109.943 177.205 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.73 -42.07 64.55 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.452 0.701 . . . . 0.0 111.629 173.092 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.875 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -53.21 -36.8 78.98 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.071 2.514 . . . . 0.0 113.988 176.914 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 62.9 tp -80.33 -48.18 13.37 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 119.146 0.885 . . . . 0.0 109.808 174.266 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -52.55 -44.02 65.56 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 122.253 0.221 . . . . 0.0 110.89 -176.217 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -59.79 -39.05 83.63 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 117.928 0.331 . . . . 0.0 111.329 175.943 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.06 -54.53 17.65 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.364 0.529 . . . . 0.0 110.009 -176.365 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 25.0 pt -58.13 -43.09 84.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.889 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.68 -44.08 22.87 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 125.03 1.3 . . . . 0.0 112.482 170.221 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.421 ' CD1' HD12 ' B' ' 15' ' ' ILE . 0.3 OUTLIER -58.14 -59.17 5.7 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.646 1.178 . . . . 0.0 109.448 -179.727 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -52.58 -48.03 66.48 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.287 0.635 . . . . 0.0 110.456 178.386 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.1 mt -61.92 -50.17 81.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 C-N-CA 123.106 0.562 . . . . 0.0 110.103 -176.634 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.96 -47.91 88.88 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 125.045 1.307 . . . . 0.0 110.023 -177.71 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.421 HD12 ' CD1' ' B' ' 11' ' ' LEU . 8.7 mt -53.16 -55.81 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 174.539 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -52.64 -59.26 4.69 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.167 -176.044 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -69.24 -27.98 65.94 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -172.319 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -59.22 -54.8 42.72 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 170.003 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -62.22 -42.85 99.68 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 119.568 -0.253 . . . . 0.0 111.676 -178.671 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -57.91 -50.7 72.46 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.844 0.747 . . . . 0.0 110.401 173.415 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.626 0 C-N-CA 124.927 1.251 . . . . 0.0 111.322 178.522 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 . . . . . 0 CA--C 1.538 0.49 0 CA-C-O 121.01 0.433 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 98.7 m -148.9 151.37 34.54 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.762 1.225 . . . . 0.0 108.423 -176.434 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 76.5 mt -128.19 148.6 50.62 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 126.683 1.993 . . . . 0.0 108.05 175.204 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.3 p -84.44 162.98 19.74 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.643 0.656 . . . . 0.0 110.556 168.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -45.45 -54.58 7.19 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.41 1.484 . . . . 0.0 113.189 176.87 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -77.4 -33.48 55.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.768 -172.589 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -60.12 -42.36 94.59 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 171.903 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.524 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.3 tm? -59.34 -49.98 75.72 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 174.178 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -51.44 -49.32 61.91 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.172 -0.955 . . . . 0.0 110.175 176.418 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -55.35 -47.77 75.23 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.644 0.777 . . . . 0.0 111.146 179.243 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 tt -48.21 -53.97 15.14 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 124.239 1.016 . . . . 0.0 108.863 173.677 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 66.2 mt -65.0 -36.54 78.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 O-C-N 121.804 -0.56 . . . . 0.0 112.082 -178.594 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -61.55 -43.26 99.18 Favored 'General case' 0 N--CA 1.456 -0.13 0 O-C-N 121.561 -0.712 . . . . 0.0 109.746 178.264 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -54.13 18.58 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.294 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.9 -57.21 10.49 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.134 0.574 . . . . 0.0 112.151 -172.675 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 27.5 mt . . . . . 0 C--N 1.331 -0.219 0 C-N-CA 122.61 0.364 . . . . 0.0 110.584 -171.48 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t70 . . . . . 0 N--CA 1.464 0.261 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.33 -47.54 65.97 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.433 0.635 . . . . 0.0 111.092 174.384 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -65.71 -42.01 91.61 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.732 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 47.6 mm -54.48 -49.74 63.43 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 CA-C-O 118.788 -0.625 . . . . 0.0 110.31 174.707 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.275 16.4 m -67.87 -35.54 72.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 119.534 1.061 . . . . 0.0 112.443 -178.533 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -59.09 -55.22 37.82 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.552 1.069 . . . . 0.0 110.217 171.511 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 tt -51.79 -46.66 64.3 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.066 0.946 . . . . 0.0 110.912 176.868 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -63.35 -41.52 98.85 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.31 1.044 . . . . 0.0 109.726 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -58.85 -47.96 83.03 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 174.9 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -57.62 -48.7 78.71 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.826 -0.546 . . . . 0.0 110.582 179.057 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.1 mt -56.34 -53.07 61.62 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.036 0.535 . . . . 0.0 111.335 174.636 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -76.1 -20.81 57.34 Favored 'General case' 0 CA--C 1.527 0.061 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -169.171 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 . . . . . 0 CA--C 1.531 0.223 0 C-N-CA 124.198 0.999 . . . . 0.0 109.602 175.924 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 . . . . . 0 CA--C 1.535 0.393 0 CA-C-O 120.765 0.317 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 4.4 t -96.33 139.85 18.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 125.413 1.485 . . . . 0.0 107.489 171.762 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -111.83 147.06 36.54 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.446 1.021 . . . . 0.0 109.572 176.896 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -41.66 -61.21 1.13 Allowed 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -169.48 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -61.66 -37.52 84.36 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.238 -0.914 . . . . 0.0 110.593 -172.63 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -67.51 -39.13 85.11 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.753 0.821 . . . . 0.0 110.156 177.92 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -54.48 -51.22 65.74 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 119.297 -0.382 . . . . 0.0 110.367 169.774 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 30.1 mm -58.09 -51.1 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 118.684 0.675 . . . . 0.0 110.412 178.149 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 46.6 m -50.15 -50.6 48.36 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.674 0.79 . . . . 0.0 110.108 178.415 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -62.24 -43.87 97.84 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.57 179.936 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 72.2 mt -57.97 -37.45 74.22 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.446 1.021 . . . . 0.0 110.535 174.206 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.7 -54.69 29.22 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 169.031 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.16 -42.37 76.9 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.918 -0.754 . . . . 0.0 111.74 176.76 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.79 -46.71 89.42 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.412 1.085 . . . . 0.0 109.617 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -58.65 -42.4 88.28 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 122.966 0.506 . . . . 0.0 110.387 174.857 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 22.3 ttt -62.55 -42.75 99.73 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 122.157 -0.339 . . . . 0.0 111.543 176.657 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.07 -40.4 83.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 123.8 0.84 . . . . 0.0 109.609 174.366 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -71.97 55.78 0.3 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.36 0.664 . . . . 0.0 110.266 169.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.29 -35.27 69.59 Favored 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 121.13 -0.981 . . . . 0.0 112.028 -169.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -48.72 -39.78 25.98 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.685 0.794 . . . . 0.0 111.647 173.914 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.28 -51.96 60.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 173.941 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mt -53.46 -39.09 64.2 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 118.926 -0.559 . . . . 0.0 112.237 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -50.48 -37.46 38.7 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.772 0.714 . . . . 0.0 111.247 176.455 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.132 0 CA-C-O 117.23 -1.872 . . . . 0.0 110.36 174.875 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 tpt . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.2 -45.9 30.99 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.919 0.488 . . . . 0.0 111.085 -173.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -45.8 -44.9 35.09 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 114.962 1.468 . . . . 0.0 114.962 -170.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -53.97 -45.49 40.65 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.122 2.548 . . . . 0.0 112.777 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.9 tp -72.82 -47.32 47.39 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.246 177.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -51.74 -48.88 63.46 Favored 'General case' 0 C--N 1.337 0.033 0 C-N-CA 122.918 0.487 . . . . 0.0 110.623 -175.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -62.97 -38.63 91.88 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.293 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.18 -52.52 54.4 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.972 -0.455 . . . . 0.0 111.117 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.9 pt -57.59 -46.6 86.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 174.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.3 -45.49 5.26 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 125.014 1.292 . . . . 0.0 112.604 171.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.42 -60.95 2.78 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.161 0.985 . . . . 0.0 110.222 178.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -52.32 -47.39 66.01 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.529 0.732 . . . . 0.0 110.351 178.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.24 -47.76 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.95 -53.27 47.19 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 124.868 1.223 . . . . 0.0 110.169 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.8 mt -49.55 -48.18 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 123.192 0.597 . . . . 0.0 110.213 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -60.86 -60.83 3.18 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.826 0.346 . . . . 0.0 110.783 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -67.08 -28.0 67.82 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -168.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -52.97 -46.43 68.23 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 169.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -80.92 -48.16 12.7 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 118.111 -0.947 . . . . 0.0 111.973 -178.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.9 p -55.54 -41.71 73.59 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 119.992 1.269 . . . . 0.0 110.112 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -38.1 -36.34 0.35 Allowed Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.408 1.48 . . . . 0.0 114.157 171.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -55.83 -44.51 77.99 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.056 0.943 . . . . 0.0 111.522 177.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -86.91 -34.62 19.33 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.65 0.78 . . . . 0.0 110.494 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.44 172.34 29.76 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 109.569 -1.413 . . . . 0.0 109.569 172.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -71.41 73.58 0.72 Allowed 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 117.981 0.891 . . . . 0.0 109.816 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -117.83 151.04 38.15 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.65 1.58 . . . . 0.0 108.911 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -90.76 38.18 0.94 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.435 0.694 . . . . 0.0 109.438 172.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.0 m -148.32 145.56 28.18 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.377 2.271 . . . . 0.0 105.302 -174.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 tt -148.67 127.45 12.57 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -168.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.9 m -75.81 158.32 32.3 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 119.136 0.88 . . . . 0.0 111.486 -169.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.6 pttt -63.25 -50.52 69.88 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -169.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -64.14 -34.46 78.11 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.872 -1.143 . . . . 0.0 110.267 176.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.3 -40.27 96.89 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.124 0.57 . . . . 0.0 110.151 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.527 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.8 tm? -57.72 -49.03 77.89 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 170.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -55.79 -43.02 76.42 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 119.187 -1.005 . . . . 0.0 110.389 176.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -60.75 -36.78 79.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.968 0.907 . . . . 0.0 111.816 176.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tt -58.73 -57.01 14.9 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 123.889 0.876 . . . . 0.0 109.361 169.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.8 mt -57.18 -53.47 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-O 119.377 -0.345 . . . . 0.0 110.579 -175.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -52.64 -39.47 61.79 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.969 -0.539 . . . . 0.0 112.357 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -80.72 -56.54 4.08 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.673 0.67 . . . . 0.0 110.917 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -73.99 -48.52 29.74 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.569 0.748 . . . . 0.0 111.22 -168.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mp -95.27 69.55 3.14 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.49 74.46 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.985 1.314 . . . . 0.0 112.387 -173.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -67.56 105.37 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 O-C-N 121.178 -0.951 . . . . 0.0 108.777 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.76 -48.14 62.62 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 171.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.4 m -71.14 63.42 0.33 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.51 1.524 . . . . 0.0 112.409 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -57.02 -15.17 4.53 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.6 mt -49.09 -31.12 7.4 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.522 -0.736 . . . . 0.0 111.325 168.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -68.02 4.15 1.32 Allowed 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -44.21 -46.04 8.74 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 120.034 1.288 . . . . 0.0 112.415 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.62 -46.25 66.97 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.412 0.625 . . . . 0.0 111.116 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -64.19 -43.36 95.31 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.5 mm -57.41 -46.02 85.6 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 CA-C-O 118.423 -0.798 . . . . 0.0 110.988 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.253 14.5 m -70.48 -32.32 49.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 120.232 1.378 . . . . 0.0 112.408 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -61.03 -48.04 83.62 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.529 1.059 . . . . 0.0 109.905 169.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.82 -44.07 81.64 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.323 -0.861 . . . . 0.0 111.038 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.9 ttp -57.38 -51.72 68.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.474 1.11 . . . . 0.0 108.775 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -50.29 -53.44 28.55 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 123.313 0.645 . . . . 0.0 109.798 173.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.89 -40.85 77.01 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.943 0.792 . . . . 0.0 113.064 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.49 -58.66 6.31 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.284 0.493 . . . . 0.0 110.204 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -67.87 -27.37 66.62 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.293 -0.88 . . . . 0.0 112.821 -173.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -49.73 -26.76 4.09 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 126.036 1.735 . . . . 0.0 112.404 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -43.25 -37.37 2.14 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 169.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -148.44 22.11 1.05 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 168.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.301 0.7 OUTLIER 63.36 -43.17 0.22 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 129.142 2.977 . . . . 0.0 116.112 179.093 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -74.24 -52.38 12.53 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.326 -0.859 . . . . 0.0 111.45 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -138.14 156.64 47.54 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.459 0.704 . . . . 0.0 111.436 -169.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 t -80.99 142.79 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 169.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -113.54 142.58 45.78 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 173.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -45.06 -55.84 5.24 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.418 1.087 . . . . 0.0 113.782 -170.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -54.66 -43.22 72.19 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.611 -0.68 . . . . 0.0 110.926 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -69.49 -38.43 77.66 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.799 0.84 . . . . 0.0 109.899 -176.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -54.02 -52.59 60.34 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.257 0.623 . . . . 0.0 109.969 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.1 mm -59.09 -53.65 45.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 118.422 0.556 . . . . 0.0 110.199 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.0 m -51.62 -44.1 62.8 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 121.531 -0.731 . . . . 0.0 111.973 177.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -65.05 -45.23 86.24 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 122.936 0.494 . . . . 0.0 110.173 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.4 mt -56.51 -34.47 67.02 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.865 0.757 . . . . 0.0 110.314 172.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.13 -49.94 64.75 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 168.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.51 -46.03 84.26 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.818 0.809 . . . . 0.0 111.29 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 tp -57.91 -46.5 84.89 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.707 0.803 . . . . 0.0 109.891 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.416 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -58.98 -48.05 82.95 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.561 0.744 . . . . 0.0 110.467 175.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -55.47 -46.19 76.87 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 117.932 0.333 . . . . 0.0 110.776 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 77.9 mt -56.6 -44.91 82.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 174.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -70.82 38.53 0.05 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.635 0.774 . . . . 0.0 112.841 170.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -34.91 -41.72 0.14 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 128.58 2.752 . . . . 0.0 113.804 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -44.33 -48.91 9.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.662 0.785 . . . . 0.0 111.264 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.53 -39.44 76.6 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.797 0.839 . . . . 0.0 111.391 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.8 mp -74.13 -39.24 63.45 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.596 0.758 . . . . 0.0 109.398 -177.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -61.39 -43.93 98.03 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.527 0.331 . . . . 0.0 110.154 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.145 0 CA-C-O 117.202 -1.888 . . . . 0.0 111.13 176.277 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 96.7 mmm . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 120.543 0.211 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.21 31.12 0.2 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.727 0.811 . . . . 0.0 110.376 174.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.73 -52.01 6.65 Favored Pre-proline 0 CA--C 1.537 0.463 0 C-N-CA 125.262 1.425 . . . . 0.0 114.785 -168.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.81 -40.65 82.68 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.606 2.204 . . . . 0.0 112.607 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 52.0 tp -79.68 -44.11 21.48 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -49.48 -49.14 46.84 Favored 'General case' 0 C--O 1.227 -0.096 0 C-N-CA 123.853 0.861 . . . . 0.0 110.641 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -59.88 -39.54 85.64 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.433 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.71 -54.11 18.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.817 -0.552 . . . . 0.0 111.253 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.5 pt -58.07 -42.65 83.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.87 -45.14 18.87 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 125.613 1.578 . . . . 0.0 111.995 171.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -60.73 3.28 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.009 0.905 . . . . 0.0 110.307 178.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -51.05 -47.18 61.8 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.504 0.722 . . . . 0.0 110.212 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.416 HD11 ' HB1' ' A' ' 81' ' ' ALA . 61.4 mt -60.42 -47.95 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.626 0.77 . . . . 0.0 110.065 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.25 -54.3 38.41 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 124.883 1.23 . . . . 0.0 110.124 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.2 mt -50.61 -49.83 24.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -57.75 -59.02 5.85 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.769 -0.196 . . . . 0.0 111.13 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -69.62 -31.88 70.27 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 122.043 -0.411 . . . . 0.0 111.691 -170.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -51.52 -50.24 60.36 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 169.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -65.6 -51.56 58.74 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 117.399 -1.286 . . . . 0.0 112.428 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.6 m -45.83 -43.59 13.54 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 120.505 1.502 . . . . 0.0 110.864 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -34.1 -50.41 0.65 Allowed Glycine 0 CA--C 1.525 0.697 0 C-N-CA 125.503 1.525 . . . . 0.0 114.186 170.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -39.21 -39.54 0.63 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 127.118 2.167 . . . . 0.0 112.584 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -141.31 39.75 1.75 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.933 0.493 . . . . 0.0 110.007 173.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 40.37 43.65 2.86 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 125.551 1.548 . . . . 0.0 113.685 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -80.34 47.57 0.93 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.768 0.827 . . . . 0.0 112.684 -168.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 mptt 39.35 -107.98 0.07 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.275 1.83 . . . . 0.0 113.623 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -124.32 40.04 3.83 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.065 1.346 . . . . 0.0 108.99 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.33 160.06 40.71 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 126.87 2.068 . . . . 0.0 107.379 -173.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 70.5 mt -133.48 131.36 39.77 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 170.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 49.0 m -77.93 154.68 31.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 119.047 0.839 . . . . 0.0 109.539 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -52.47 -44.66 65.71 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -168.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -80.53 -29.7 37.17 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.231 -0.918 . . . . 0.0 111.786 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -59.63 -42.7 93.29 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 173.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.518 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.1 tm? -55.09 -50.46 69.11 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.268 0.627 . . . . 0.0 110.228 170.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -52.3 -47.42 65.94 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.574 1.079 . . . . 0.0 109.948 175.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -45.13 81.37 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.52 0.6 . . . . 0.0 110.657 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 tt -49.35 -55.91 11.32 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 122.88 0.472 . . . . 0.0 110.194 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.415 ' CD1' HD21 ' B' ' 56' ' ' LEU . 47.2 mt -62.19 -50.68 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.305 -175.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -53.57 -42.08 67.19 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.488 0.585 . . . . 0.0 110.846 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -53.74 13.07 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -73.45 -62.87 1.33 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -175.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -82.04 77.65 8.83 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 44.7 p -64.58 79.01 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.2 1.0 . . . . 0.0 110.574 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -54.57 -44.07 67.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 124.494 1.118 . . . . 0.0 111.386 -174.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.64 -62.07 2.39 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -171.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.8 m -69.93 69.97 0.33 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.753 1.221 . . . . 0.0 110.866 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -59.27 -11.4 4.01 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -175.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 86.1 mt -48.32 -36.15 13.77 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.499 0.72 . . . . 0.0 110.941 168.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -69.64 -2.78 12.59 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -52.38 -31.78 35.55 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 119.6 1.091 . . . . 0.0 112.213 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.54 -50.06 60.77 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.264 0.554 . . . . 0.0 111.359 171.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.91 -43.69 98.12 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 36.5 mm -55.68 -43.9 75.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 118.595 -0.717 . . . . 0.0 110.823 177.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.264 13.1 m -69.2 -37.13 75.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-N 119.997 1.271 . . . . 0.0 112.486 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -58.66 -51.67 68.93 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.3 0.954 . . . . 0.0 109.777 172.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.415 HD21 ' CD1' ' B' ' 38' ' ' ILE . 2.5 tt -54.33 -45.67 72.73 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.789 0.836 . . . . 0.0 111.047 176.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -61.92 -44.64 96.36 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.094 0.958 . . . . 0.0 109.834 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -54.29 -53.01 59.52 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 172.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -56.94 -39.2 74.09 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.3 mt -63.54 -56.18 17.99 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.26 0.624 . . . . 0.0 111.192 173.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.63 -26.25 59.76 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.428 -0.795 . . . . 0.0 112.854 -171.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -52.23 -40.58 61.83 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.254 0.622 . . . . 0.0 110.554 -174.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -51.32 -27.37 9.42 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.485 1.114 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 tppm? -141.23 60.72 1.5 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 122.007 0.908 . . . . 0.0 109.38 168.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.26 3.7 p30 58.08 -58.2 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 128.682 2.793 . . . . 0.0 117.798 167.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -137.45 -0.23 2.21 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 125.771 1.628 . . . . 0.0 111.468 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -145.11 153.24 41.21 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 118.36 0.527 . . . . 0.0 109.583 -179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -94.97 117.32 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 C-N-CA 125.753 1.621 . . . . 0.0 107.467 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -78.81 148.58 32.85 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 170.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -39.69 -54.18 2.09 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -66.11 -32.84 74.53 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 120.821 -1.175 . . . . 0.0 111.289 -176.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -69.44 -40.22 77.34 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -55.24 -53.95 49.57 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.111 0.564 . . . . 0.0 110.15 170.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 31.9 mm -55.83 -54.33 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 118.229 0.468 . . . . 0.0 110.141 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 72.7 m -49.07 -51.82 29.22 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.9 0.88 . . . . 0.0 110.804 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -62.7 -42.0 99.42 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 119.198 -0.43 . . . . 0.0 110.863 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 70.6 mt -57.49 -35.04 69.7 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.504 1.047 . . . . 0.0 110.061 172.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.87 -51.49 57.84 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 168.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.04 -42.96 73.31 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.689 -0.889 . . . . 0.0 111.047 175.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.33 -44.77 96.64 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.438 1.095 . . . . 0.0 109.745 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.78 -45.18 86.35 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.165 0.586 . . . . 0.0 110.759 173.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 16.9 tpt -60.69 -43.23 98.01 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.093 -0.379 . . . . 0.0 111.293 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 71.3 mt -58.87 -44.08 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -73.32 54.46 0.43 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.379 0.672 . . . . 0.0 109.983 169.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -56.56 -32.6 65.33 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.336 -0.852 . . . . 0.0 112.698 -169.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -51.93 -39.82 59.77 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.067 0.547 . . . . 0.0 111.74 173.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.65 -39.91 95.37 Favored 'General case' 0 N--CA 1.458 -0.067 0 C-N-CA 123.118 0.567 . . . . 0.0 110.44 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.3 mt -64.89 -52.94 53.82 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -68.3 -37.19 80.39 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 117.302 -1.832 . . . . 0.0 110.463 177.703 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.3 mmm . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.63 -61.95 0.35 Allowed 'General case' 0 C--O 1.233 0.192 0 C-N-CA 130.505 3.522 . . . . 0.0 110.869 175.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.83 -53.54 4.62 Favored Pre-proline 0 N--CA 1.445 -0.706 0 C-N-CA 127.664 2.385 . . . . 0.0 113.036 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.84 -53.4 5.6 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.458 2.105 . . . . 0.0 112.826 -175.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -70.12 -44.94 67.92 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.002 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -53.59 -47.8 69.81 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 122.925 0.49 . . . . 0.0 111.092 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -62.68 -38.92 92.26 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.359 0.527 . . . . 0.0 110.839 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.07 -54.26 27.99 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 121.919 -0.488 . . . . 0.0 111.303 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.3 pt -57.9 -41.98 81.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-N 118.796 0.725 . . . . 0.0 109.104 175.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.0 -44.07 13.48 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 125.389 1.471 . . . . 0.0 112.444 169.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.94 -60.41 3.9 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.295 1.047 . . . . 0.0 109.901 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -52.11 -47.34 65.33 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.496 0.718 . . . . 0.0 110.245 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.441 HD11 ' HB1' ' B' ' 81' ' ' ALA . 59.4 mt -60.22 -54.53 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.187 0.995 . . . . 0.0 109.585 -178.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.29 -55.26 22.79 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 125.077 1.323 . . . . 0.0 109.989 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.8 mt -50.8 -54.72 8.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 117.512 0.656 . . . . 0.0 109.53 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -57.49 -58.37 8.58 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.79 -174.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.72 -31.55 68.44 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 122.109 -0.369 . . . . 0.0 110.942 -171.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -58.98 -50.53 73.72 Favored 'General case' 0 CA--C 1.527 0.061 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 173.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.409 ' CE2' ' HA ' ' A' ' 37' ' ' LEU . 3.0 m-85 -60.36 -46.21 90.75 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.406 175.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.1 t -54.95 -34.23 63.05 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.15 0.432 . . . . 0.0 110.66 175.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -41.95 -38.39 2.47 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 124.88 1.229 . . . . 0.0 112.921 171.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -64.9 -37.19 86.79 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 117.824 0.812 . . . . 0.0 111.91 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -94.15 -45.08 7.7 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.314 0.646 . . . . 0.0 111.276 -176.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.7 39.39 0.03 OUTLIER Glycine 0 CA--C 1.53 0.973 0 CA-C-O 118.942 -0.921 . . . . 0.0 114.184 171.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 42.51 69.66 0.36 Allowed 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.501 1.52 . . . . 0.0 113.385 169.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 ptpp? -147.75 172.38 14.19 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 121.777 -0.577 . . . . 0.0 110.337 -176.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -77.92 37.08 0.23 Allowed 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.23 -0.919 . . . . 0.0 111.709 -173.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.4 p -147.6 138.89 23.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.909 1.684 . . . . 0.0 108.72 -177.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.2 mt -116.43 140.27 49.54 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 168.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.9 t -78.19 154.39 31.16 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 120.339 1.427 . . . . 0.0 108.519 169.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -53.18 -41.5 65.3 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.569 0.748 . . . . 0.0 112.959 -172.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -70.97 -32.33 69.15 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.986 -1.072 . . . . 0.0 111.147 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -63.61 -43.76 95.96 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.563 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.5 tm? -54.82 -49.2 71.6 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.762 0.425 . . . . 0.0 110.084 171.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -52.62 -50.47 63.04 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.014 -1.054 . . . . 0.0 110.341 176.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -56.5 -39.78 73.88 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.059 0.944 . . . . 0.0 111.745 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.409 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 5.3 tt -57.38 -56.21 24.85 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 123.906 0.882 . . . . 0.0 109.854 171.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.9 mt -56.87 -43.37 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 119.115 -0.469 . . . . 0.0 110.785 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -53.97 -48.62 70.14 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 117.981 0.355 . . . . 0.0 110.318 -175.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -75.57 -59.07 2.91 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.221 0.534 . . . . 0.0 110.173 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -67.38 -37.69 83.57 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -166.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 mp -89.53 6.36 41.38 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.31 0.505 . . . . 0.0 110.836 172.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.6 p 47.11 63.64 1.87 Allowed 'General case' 0 C--N 1.342 0.254 0 C-N-CA 124.759 1.224 . . . . 0.0 110.27 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.4 tp -47.53 -60.19 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -168.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.94 -73.11 0.12 Allowed Glycine 0 CA--C 1.532 1.138 0 C-N-CA 123.888 0.756 . . . . 0.0 111.668 -173.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 p -75.0 69.51 1.93 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.718 1.607 . . . . 0.0 110.903 -175.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -49.43 -26.38 3.25 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.836 1.254 . . . . 0.0 113.15 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -48.54 -35.31 13.01 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.806 0.842 . . . . 0.0 111.688 173.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -73.15 3.66 5.35 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.661 0.784 . . . . 0.0 112.963 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -47.45 -38.73 14.15 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 119.302 0.955 . . . . 0.0 112.253 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.39 -49.47 54.36 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.482 0.583 . . . . 0.0 111.529 174.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.79 -43.21 96.99 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.3 mm -56.12 -45.65 80.75 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.806 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.256 17.1 m -72.24 -32.41 42.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 119.629 1.104 . . . . 0.0 112.259 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -58.56 -53.99 52.12 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.471 1.032 . . . . 0.0 109.128 169.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tt -54.73 -43.52 72.72 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.246 0.618 . . . . 0.0 111.142 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.1 ttp -59.28 -47.25 86.09 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 124.175 0.99 . . . . 0.0 109.148 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.07 -48.36 76.21 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -58.04 -47.13 84.03 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.349 0.26 . . . . 0.0 111.33 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mt -56.87 -64.58 0.83 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.61 0.719 . . . . 0.0 109.991 172.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -62.91 -19.3 64.07 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.637 1.175 . . . . 0.0 113.28 -170.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -43.28 -40.9 3.71 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 124.501 1.121 . . . . 0.0 111.695 174.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.469 HD21 ' HA ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -44.39 -40.18 5.22 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 175.542 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -161.41 62.22 0.27 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.689 1.196 . . . . 0.0 109.391 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.292 49.3 p-10 26.26 -72.9 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 129.466 3.107 . . . . 0.0 118.167 177.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -80.18 -11.72 59.72 Favored 'General case' 0 C--O 1.238 0.463 0 O-C-N 121.084 -1.01 . . . . 0.0 112.776 -176.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -149.26 166.72 28.09 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.905 0.859 . . . . 0.0 113.144 -169.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.469 ' HA ' HD21 ' A' ' 63' ' ' ASN . 11.4 t -119.9 115.66 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 128.003 2.521 . . . . 0.0 106.895 176.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -78.76 147.33 33.4 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 172.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -43.9 -54.59 5.19 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.512 1.125 . . . . 0.0 113.638 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -53.82 -42.0 67.94 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.789 -0.569 . . . . 0.0 110.531 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -72.56 -39.71 67.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.379 1.072 . . . . 0.0 109.81 -175.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -53.11 -52.76 57.61 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.185 0.594 . . . . 0.0 109.819 169.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.1 mm -58.06 -50.72 77.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-N 118.25 0.477 . . . . 0.0 110.112 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.9 m -49.95 -47.98 52.29 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.467 0.707 . . . . 0.0 110.991 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -66.62 -44.09 83.01 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 119.054 -0.498 . . . . 0.0 110.767 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.6 mt -55.6 -36.53 67.03 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.48 1.036 . . . . 0.0 109.998 174.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.45 -53.46 41.0 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 168.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.86 -46.82 68.03 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 117.872 0.836 . . . . 0.0 111.281 174.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.2 tp -57.68 -45.48 85.55 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.525 1.13 . . . . 0.0 110.046 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.02 96.36 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.828 0.451 . . . . 0.0 111.044 175.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.1 tmm? -56.98 -46.83 81.95 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 122.1 -0.375 . . . . 0.0 109.997 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.94 -43.58 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 125.2 1.4 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -50.71 -54.8 20.26 Favored 'General case' 0 C--N 1.342 0.25 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 171.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 68.94 -54.58 0.56 Allowed 'General case' 0 CA--C 1.527 0.078 0 C-N-CA 126.976 2.11 . . . . 0.0 113.992 171.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -49.89 -42.01 46.98 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.854 0.862 . . . . 0.0 110.039 173.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.35 -44.04 61.96 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.478 0.711 . . . . 0.0 111.632 172.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 21.9 mt -65.49 -48.69 71.72 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -53.52 -43.71 68.54 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 122.14 0.176 . . . . 0.0 110.984 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.162 0 CA-C-O 117.183 -1.898 . . . . 0.0 111.225 173.802 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 111.242 0.09 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.78 6.22 0.84 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.936 1.694 . . . . 0.0 114.592 176.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -51.44 -45.67 90.28 Favored Pre-proline 0 N--CA 1.446 -0.65 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -169.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -58.05 -41.79 64.45 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.943 1.762 . . . . 0.0 113.893 -173.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 60.2 tp -80.05 -46.97 15.61 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.5 -35.22 69.95 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 119.409 -0.329 . . . . 0.0 111.709 -170.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -62.44 -40.72 97.48 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.652 0.66 . . . . 0.0 111.783 173.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.01 -51.4 39.58 Favored 'General case' 0 CA--C 1.519 -0.239 0 O-C-N 121.631 -0.668 . . . . 0.0 110.402 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 pt -56.79 -44.89 82.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 118.915 -1.114 . . . . 0.0 108.222 172.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.44 -44.48 5.16 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.726 1.155 . . . . 0.0 112.651 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -62.09 2.02 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 117.979 0.89 . . . . 0.0 110.624 177.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -49.57 -49.73 45.27 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.08 0.952 . . . . 0.0 109.747 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.76 -50.75 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.295 -176.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.85 -54.78 32.78 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.8 mt -49.84 -54.82 6.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -57.27 -62.51 1.71 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 120.957 0.408 . . . . 0.0 111.671 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.89 -30.69 69.24 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.642 -0.661 . . . . 0.0 111.7 -168.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -60.12 -47.24 86.73 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.777 0.717 . . . . 0.0 109.458 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -58.59 -46.56 86.71 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 118.398 -0.81 . . . . 0.0 111.338 174.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.5 p -50.51 -48.71 56.89 Favored 'General case' 0 C--N 1.341 0.206 0 CA-C-N 118.829 0.741 . . . . 0.0 109.678 177.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -37.22 -37.19 0.26 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.973 1.749 . . . . 0.0 114.531 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -56.61 -46.63 80.79 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.347 1.074 . . . . 0.0 111.876 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -90.31 -40.6 12.02 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.722 0.809 . . . . 0.0 110.031 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.47 139.05 2.68 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 107.344 -2.303 . . . . 0.0 107.344 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -67.54 100.87 0.92 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.02 0.91 . . . . 0.0 109.584 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -164.9 166.3 19.65 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 118.498 0.59 . . . . 0.0 110.412 -177.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -75.81 34.14 0.12 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.008 0.923 . . . . 0.0 112.949 -169.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 37.6 p -149.18 134.73 18.58 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.59 1.156 . . . . 0.0 109.9 -172.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 58.3 mt -110.23 146.59 35.35 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 168.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.2 p -78.44 155.82 29.71 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.429 1.013 . . . . 0.0 108.877 168.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -57.64 -42.13 82.79 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.467 -0.771 . . . . 0.0 112.579 -173.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -67.8 -37.52 82.12 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.774 -1.204 . . . . 0.0 110.729 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.0 -40.37 88.99 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.496 -0.753 . . . . 0.0 110.346 175.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.513 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.9 tm? -54.81 -49.03 71.99 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 170.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -54.11 -40.61 67.47 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.092 -1.005 . . . . 0.0 111.349 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.3 -47.87 82.37 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 122.225 0.21 . . . . 0.0 110.534 176.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 tt -50.39 -52.02 41.05 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 124.052 0.941 . . . . 0.0 109.715 175.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 39.8 mt -59.75 -52.32 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 122.59 0.356 . . . . 0.0 110.506 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -61.13 -28.55 69.18 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -76.34 -62.47 1.61 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.577 0.626 . . . . 0.0 111.173 170.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -66.54 -56.92 8.56 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.583 0.353 . . . . 0.0 110.802 -170.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 89.4 mt -88.51 -37.68 15.56 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 123.024 0.53 . . . . 0.0 110.272 -171.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.7 p 68.56 179.51 0.24 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.573 1.549 . . . . 0.0 110.723 -172.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 31.3 mt -141.98 -58.8 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.099 0 C-N-CA 123.739 0.816 . . . . 0.0 109.009 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.47 -67.45 1.25 Allowed Glycine 0 CA--C 1.529 0.907 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 -169.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.6 m -70.87 71.7 0.53 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.745 1.218 . . . . 0.0 110.685 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -52.05 -21.32 3.06 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.25 1.02 . . . . 0.0 113.553 -177.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.441 HD22 ' H ' ' B' ' 48' ' ' LEU . 3.3 mm? -46.1 -37.61 7.05 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.037 0.935 . . . . 0.0 111.598 169.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -70.04 -1.87 11.09 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -47.34 -38.83 13.63 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.336 0.971 . . . . 0.0 112.304 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.45 -48.92 56.32 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.044 0.537 . . . . 0.0 111.425 173.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -64.06 -41.7 97.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 42.7 mm -57.64 -46.18 86.5 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 CA-C-O 118.656 -0.687 . . . . 0.0 110.794 177.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.9 m -70.03 -34.3 59.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 119.827 1.194 . . . . 0.0 112.078 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -58.64 -52.8 64.12 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.839 0.745 . . . . 0.0 109.71 171.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tt -55.72 -44.79 77.82 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.016 0.927 . . . . 0.0 111.059 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 39.7 ttp -56.08 -51.31 68.31 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.341 1.056 . . . . 0.0 109.021 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -54.39 -50.55 67.27 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -60.2 -26.7 66.58 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.22 -60.99 1.98 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.755 0.707 . . . . 0.0 110.445 169.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -67.29 -31.4 71.69 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -170.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 12.1 ptt85 -60.05 -31.13 69.7 Favored 'General case' 0 C--N 1.339 0.133 0 CA-C-N 118.947 0.794 . . . . 0.0 111.724 -169.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -62.69 -23.14 66.98 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.775 0.43 . . . . 0.0 110.937 -178.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -105.11 -65.34 1.05 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.453 1.101 . . . . 0.0 108.836 173.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -178.05 -84.75 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.676 1.591 . . . . 0.0 110.222 173.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -136.69 16.79 3.1 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.8 1.64 . . . . 0.0 111.151 -178.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -134.65 153.18 52.1 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 104.309 -2.478 . . . . 0.0 104.309 168.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 9.5 t -94.15 107.47 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -78.76 148.83 32.83 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -46.36 -57.25 4.79 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.872 1.269 . . . . 0.0 114.058 -169.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -61.9 -37.02 83.02 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 119.247 -0.981 . . . . 0.0 110.561 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -64.93 -41.39 95.57 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.18 0.592 . . . . 0.0 110.061 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -52.48 -55.52 21.42 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.004 0.365 . . . . 0.0 110.445 170.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 20.8 mm -56.26 -51.34 64.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 120.979 0.418 . . . . 0.0 110.038 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 75.2 m -52.67 -50.41 63.31 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 124.264 1.026 . . . . 0.0 110.202 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -62.03 -43.53 98.64 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 119.144 -0.455 . . . . 0.0 110.777 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 74.2 mt -56.14 -37.06 68.98 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.29 0.95 . . . . 0.0 110.128 173.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.18 -48.87 76.63 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 169.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.83 -48.96 76.83 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.259 1.03 . . . . 0.0 110.855 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.2 tp -53.84 -49.34 68.66 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.178 1.391 . . . . 0.0 109.506 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.441 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -59.14 -43.32 92.0 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.755 0.822 . . . . 0.0 111.305 176.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 22.5 ttt -64.62 -41.46 96.18 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.097 0.559 . . . . 0.0 110.638 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 72.2 mt -59.6 -42.29 87.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 173.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -73.26 56.43 0.47 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.113 0.565 . . . . 0.0 111.207 170.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -47.65 -38.12 14.19 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.399 1.48 . . . . 0.0 111.57 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -48.21 -46.26 34.93 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.136 0.974 . . . . 0.0 111.359 174.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.75 -41.29 98.05 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 117.994 0.361 . . . . 0.0 110.61 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 9.5 mt -65.14 -49.33 70.31 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.015 0.526 . . . . 0.0 110.257 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -47.81 75.07 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.8 0.44 . . . . 0.0 110.955 175.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.228 0 CA-C-O 117.03 -1.984 . . . . 0.0 111.448 -179.073 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.66 -27.59 55.67 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -168.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -46.43 -50.72 39.0 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 117.392 -1.289 . . . . 0.0 114.235 -169.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.53 -53.98 5.95 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 123.317 2.678 . . . . 0.0 112.611 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.5 tp -66.1 -46.55 77.22 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 121.314 -0.866 . . . . 0.0 109.817 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -52.39 -50.46 62.43 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 122.535 0.334 . . . . 0.0 110.814 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -61.66 -39.05 89.98 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.194 0.452 . . . . 0.0 110.863 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.49 -55.22 22.12 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.807 -0.558 . . . . 0.0 111.799 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.8 pt -57.32 -42.42 80.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 118.899 0.772 . . . . 0.0 108.945 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.73 -43.74 16.44 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 125.682 1.61 . . . . 0.0 112.739 170.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.5 -60.5 3.7 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.464 1.132 . . . . 0.0 109.657 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -52.08 -48.67 64.57 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.872 0.869 . . . . 0.0 110.152 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.4 -51.81 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -177.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.12 -51.25 58.56 Favored Glycine 0 CA--C 1.522 0.507 0 C-N-CA 124.698 1.142 . . . . 0.0 110.308 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mt -52.13 -57.6 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -55.57 -52.53 63.42 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 120.933 0.397 . . . . 0.0 111.142 -174.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -74.66 -25.66 59.34 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 118.698 -0.668 . . . . 0.0 112.082 -172.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -60.06 -57.56 12.31 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 169.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -63.11 -39.59 95.14 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.882 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 m -62.27 -55.36 29.08 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 174.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -43.41 -44.04 6.28 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 125.491 1.52 . . . . 0.0 112.201 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -46.97 -46.48 21.61 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.373 0.669 . . . . 0.0 112.316 175.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -90.16 -34.77 15.72 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.247 0.619 . . . . 0.0 111.534 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.03 155.36 13.44 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 174.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -75.62 64.58 1.7 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.982 0.913 . . . . 0.0 110.603 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -131.88 145.11 51.33 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.713 1.605 . . . . 0.0 107.957 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -80.72 48.91 1.12 Allowed 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.633 -0.667 . . . . 0.0 110.954 -174.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.0 p -152.3 126.45 9.19 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.6 1.16 . . . . 0.0 110.181 -169.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.3 mt -97.41 135.28 39.52 Favored 'General case' 0 C--O 1.227 -0.12 0 O-C-N 123.862 0.726 . . . . 0.0 110.352 174.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.7 m -78.09 151.81 33.2 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 168.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -54.23 -47.04 72.64 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -168.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -69.1 -31.28 69.88 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.345 -0.847 . . . . 0.0 111.158 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.63 -43.8 92.54 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 173.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.528 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.3 tm? -55.29 -48.18 74.44 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.685 0.394 . . . . 0.0 110.158 171.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -55.53 -42.99 75.34 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 120.354 -1.466 . . . . 0.0 111.196 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.56 -46.23 89.51 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 122.585 0.354 . . . . 0.0 110.228 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tt -51.43 -54.29 28.36 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 123.867 0.867 . . . . 0.0 109.497 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.2 mt -62.14 -55.41 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.646 -175.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -53.32 -42.24 66.49 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 118.75 -0.643 . . . . 0.0 111.368 -176.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -74.89 -58.95 2.97 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.136 -0.625 . . . . 0.0 110.881 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -68.58 -46.69 68.73 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 122.041 -0.412 . . . . 0.0 111.829 -167.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -75.14 -10.37 59.4 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.9 t 44.26 53.07 6.92 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 126.235 1.814 . . . . 0.0 111.154 176.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.7 pt -61.55 -35.51 67.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.835 -169.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.54 -63.22 1.86 Allowed Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -177.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.8 m -67.44 72.37 0.13 Allowed 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 126.281 1.832 . . . . 0.0 112.513 -176.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -53.51 -21.79 6.99 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.323 1.049 . . . . 0.0 112.941 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.4 mt -47.2 -34.43 6.36 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.61 0.764 . . . . 0.0 111.846 170.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -72.83 5.23 3.36 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -46.65 -41.4 14.73 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 119.449 1.022 . . . . 0.0 112.2 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.81 -48.27 59.74 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.248 0.547 . . . . 0.0 111.362 174.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -65.08 -42.47 94.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 42.1 mm -56.68 -47.89 81.67 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.583 176.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.6 m -68.15 -36.04 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 120.054 1.297 . . . . 0.0 112.061 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -57.56 -51.2 70.45 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.683 1.129 . . . . 0.0 109.934 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 tt -57.49 -44.59 85.08 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.28 0.632 . . . . 0.0 111.32 177.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -38.74 92.29 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.533 -0.729 . . . . 0.0 109.814 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.61 -46.57 89.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 172.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -56.54 -48.92 76.25 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.354 0.524 . . . . 0.0 111.102 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mt -52.19 -62.45 1.63 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.439 0.695 . . . . 0.0 109.553 172.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -68.33 -19.92 64.69 Favored 'General case' 0 C--O 1.225 -0.187 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -171.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -52.93 -32.26 44.61 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.182 0.901 . . . . 0.0 110.506 172.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.97 -23.15 55.32 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 119.307 -0.377 . . . . 0.0 112.007 178.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -165.43 91.93 0.53 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.117 1.367 . . . . 0.0 108.242 -177.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -62.18 -36.11 80.9 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -168.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -64.28 -57.73 8.58 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.472 0.654 . . . . 0.0 111.123 -169.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -160.87 132.99 5.93 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.5 m -77.77 117.67 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -168.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -78.97 149.53 32.24 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.298 -175.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -41.17 -51.11 3.51 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.758 1.223 . . . . 0.0 113.843 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -58.71 -47.35 84.86 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.452 -0.78 . . . . 0.0 109.984 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -66.38 -37.98 86.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.66 0.384 . . . . 0.0 110.145 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -54.22 -54.37 40.82 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.95 0.5 . . . . 0.0 110.625 170.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.9 mm -58.23 -48.47 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 118.914 0.779 . . . . 0.0 110.267 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.0 m -50.69 -51.78 46.25 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.259 0.624 . . . . 0.0 110.004 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.22 -43.48 98.8 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 122.991 0.516 . . . . 0.0 110.793 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.06 -33.05 68.62 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.134 0.879 . . . . 0.0 110.813 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.43 -50.08 67.84 Favored Glycine 0 CA--C 1.532 1.12 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 168.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.84 66.62 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 122.274 -0.545 . . . . 0.0 110.479 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.0 tp -53.45 -46.52 69.92 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.043 1.337 . . . . 0.0 110.356 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.3 -52.53 64.96 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.213 0.605 . . . . 0.0 110.667 177.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . 0.289 3.6 ppp? -67.12 -25.9 66.42 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 119.511 -0.876 . . . . 0.0 112.427 177.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 mp -59.09 -43.18 88.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 168.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -74.72 51.52 0.48 Allowed 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.605 -0.685 . . . . 0.0 110.668 169.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -44.79 -42.91 8.21 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 126.397 1.879 . . . . 0.0 112.639 -173.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -53.37 -37.17 62.15 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.27 0.628 . . . . 0.0 111.815 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.14 -35.49 77.24 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.001 0.52 . . . . 0.0 111.396 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.0 mp -81.64 -44.29 17.39 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -58.33 -45.4 88.19 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 122.094 -0.379 . . . . 0.0 110.893 174.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.178 0 CA-C-O 116.919 -2.045 . . . . 0.0 110.458 179.435 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.8 ttt . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 73.16 -28.11 0.19 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.946 1.698 . . . . 0.0 115.045 171.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -37.59 -56.45 1.75 Allowed Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 127.664 2.386 . . . . 0.0 115.261 -175.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -64.12 -32.01 64.17 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 CA-C-N 121.293 1.498 . . . . 0.0 113.839 -170.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.1 tp -81.76 -47.44 12.89 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.925 0.784 . . . . 0.0 109.397 169.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -50.16 -42.27 50.62 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 123.867 0.867 . . . . 0.0 111.846 -174.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -53.92 -44.16 70.35 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.361 0.528 . . . . 0.0 111.568 175.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.85 -53.18 19.27 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.737 -0.602 . . . . 0.0 110.71 -173.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 40.2 pt -57.29 -40.51 74.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 173.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.84 -42.03 28.75 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 125.821 1.676 . . . . 0.0 111.968 171.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -59.52 5.28 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.141 0.971 . . . . 0.0 109.932 176.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -50.72 -47.13 59.29 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.34 0.656 . . . . 0.0 110.326 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.1 mt -61.02 -53.1 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.858 0.863 . . . . 0.0 109.588 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.4 -51.25 48.8 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 124.932 1.253 . . . . 0.0 110.702 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 mt -52.88 -60.95 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 175.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -50.14 -54.9 17.54 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 121.05 0.453 . . . . 0.0 111.333 -174.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -72.62 -25.93 61.49 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.154 0.582 . . . . 0.0 112.399 -174.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -64.07 -50.0 70.09 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.459 1.027 . . . . 0.0 108.71 169.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -64.97 -42.34 94.65 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.878 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 51.6 p -63.46 -44.74 93.61 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 119.621 1.1 . . . . 0.0 108.784 172.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -37.86 -53.01 2.01 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 126.415 1.96 . . . . 0.0 112.423 170.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -48.49 -35.86 13.97 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.084 0.954 . . . . 0.0 112.385 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -115.6 32.53 6.02 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.312 1.445 . . . . 0.0 111.316 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.32 110.88 0.94 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -57.59 125.25 22.08 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 123.46 0.704 . . . . 0.0 110.949 -174.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -159.78 174.68 14.12 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.96 0.904 . . . . 0.0 108.997 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -86.7 20.27 2.6 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.258 1.023 . . . . 0.0 111.91 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 69.0 p -134.33 158.41 43.88 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.317 1.447 . . . . 0.0 109.269 176.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 52.9 mt -123.75 141.59 51.88 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 169.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 18.3 t -76.28 146.93 38.59 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 169.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.33 -36.06 63.37 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -172.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -77.4 -30.62 53.67 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.046 -1.034 . . . . 0.0 111.029 176.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.7 -42.5 97.95 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.266 -0.896 . . . . 0.0 108.672 171.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.554 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.6 tm? -54.54 -49.46 70.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 170.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -51.81 -46.2 64.17 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.837 1.199 . . . . 0.0 111.062 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.1 -50.17 71.8 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 tt -49.02 -54.48 15.55 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 124.385 1.074 . . . . 0.0 110.542 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -59.76 -58.57 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -56.87 -35.82 69.36 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.469 0.577 . . . . 0.0 110.955 -174.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -79.86 -44.99 19.47 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -76.07 -68.67 0.56 Allowed 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 176.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 66.0 mt -79.77 75.2 6.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -177.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 44.2 p -67.22 74.6 0.13 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.513 1.125 . . . . 0.0 110.275 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 11.0 pt -58.05 -38.67 68.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 124.12 0.968 . . . . 0.0 111.985 -178.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.18 -48.66 2.81 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.1 p -68.67 70.35 0.18 Allowed 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 125.561 1.544 . . . . 0.0 111.041 175.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -53.45 -21.73 6.64 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.722 1.209 . . . . 0.0 113.464 -177.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.404 HD22 ' H ' ' B' ' 48' ' ' LEU . 3.3 mm? -50.36 -38.11 40.58 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.202 -0.936 . . . . 0.0 110.896 171.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -70.34 -3.18 16.12 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.601 0.76 . . . . 0.0 112.806 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -52.55 -32.24 39.83 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 119.579 1.082 . . . . 0.0 111.411 176.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.86 -50.18 64.3 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.51 0.671 . . . . 0.0 111.08 170.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -63.93 -42.06 97.46 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 33.9 mm -56.55 -45.2 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.853 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.279 13.7 m -67.17 -37.09 78.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 120.242 1.383 . . . . 0.0 112.369 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -58.54 -51.48 69.71 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.144 0.884 . . . . 0.0 110.221 172.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 tt -56.76 -43.88 81.21 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.631 -0.668 . . . . 0.0 111.181 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -59.95 -44.46 94.4 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 124.355 1.062 . . . . 0.0 110.078 177.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -57.39 -48.98 77.64 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 173.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -58.84 -44.14 90.88 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 122.097 -0.377 . . . . 0.0 111.544 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mt -58.89 -57.09 14.58 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.423 0.63 . . . . 0.0 110.016 171.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.25 -16.51 64.08 Favored 'General case' 0 N--CA 1.458 -0.048 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 -172.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -32.11 -43.27 0.07 Allowed 'General case' 0 C--N 1.342 0.264 0 C-N-CA 125.864 1.665 . . . . 0.0 110.404 168.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -27.01 -67.92 0.05 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.334 1.854 . . . . 0.0 113.568 167.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -155.2 48.56 0.54 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.372 1.469 . . . . 0.0 110.252 -177.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 p30 48.33 -75.79 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 128.187 2.595 . . . . 0.0 114.946 169.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -56.36 -41.22 75.81 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.557 1.143 . . . . 0.0 110.411 171.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -134.92 152.66 51.94 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -169.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 4.8 t -93.75 148.58 4.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 127.708 2.403 . . . . 0.0 106.426 168.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.38 152.68 25.96 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 119.382 0.992 . . . . 0.0 110.02 170.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -42.15 -54.98 3.43 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.099 1.36 . . . . 0.0 113.625 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -58.95 -46.89 86.91 Favored 'General case' 0 N--CA 1.457 -0.079 0 O-C-N 121.637 -0.664 . . . . 0.0 109.951 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -63.45 -42.29 98.65 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -52.74 -54.95 26.57 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.082 0.553 . . . . 0.0 111.077 173.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 33.1 mm -58.53 -51.57 70.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 119.27 0.941 . . . . 0.0 110.373 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 37.4 m -53.15 -48.07 68.24 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.63 0.728 . . . . 0.0 110.001 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -62.7 -43.57 98.46 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 123.88 0.872 . . . . 0.0 110.409 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 71.2 mt -56.86 -33.5 66.89 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.363 0.983 . . . . 0.0 110.449 173.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.47 -50.71 64.14 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 169.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.55 75.57 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.612 -0.934 . . . . 0.0 111.136 173.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 tp -61.9 -43.25 99.24 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.884 0.874 . . . . 0.0 110.2 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.48 -44.7 76.74 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.247 0.619 . . . . 0.0 110.415 171.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 63.0 mtm -64.4 -38.26 90.41 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 175.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.99 -42.21 92.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -74.71 53.61 0.58 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.636 0.774 . . . . 0.0 109.313 169.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -51.34 -39.33 56.78 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 125.332 1.453 . . . . 0.0 113.555 -167.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -44.37 -45.51 8.92 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.109 0.964 . . . . 0.0 111.125 174.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.26 -33.46 67.62 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.463 0.705 . . . . 0.0 111.966 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 45.6 mt -62.59 -40.86 98.25 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.19 0.45 . . . . 0.0 109.926 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -76.87 -46.57 24.13 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 116.978 -2.012 . . . . 0.0 109.576 177.139 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtm . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.3 -56.29 0.6 Allowed 'General case' 0 C--O 1.234 0.245 0 C-N-CA 127.142 2.177 . . . . 0.0 111.028 -172.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -42.07 -48.25 11.21 Favored Pre-proline 0 N--CA 1.452 -0.329 0 C-N-CA 125.493 1.517 . . . . 0.0 113.445 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -53.7 -45.92 37.51 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 122.657 2.238 . . . . 0.0 112.625 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.9 tp -73.53 -46.31 48.46 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 120.071 -0.652 . . . . 0.0 109.247 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -51.87 -48.47 64.03 Favored 'General case' 0 CA--C 1.527 0.067 0 C-N-CA 123.204 0.602 . . . . 0.0 110.666 -176.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -61.74 -38.52 88.27 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 117.929 0.331 . . . . 0.0 111.087 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.97 -53.9 27.12 Favored 'General case' 0 N--CA 1.455 -0.195 0 O-C-N 121.736 -0.603 . . . . 0.0 111.194 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.8 pt -57.38 -44.68 84.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 174.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.13 -42.05 16.04 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 125.604 1.573 . . . . 0.0 112.35 172.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -60.39 3.85 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.963 0.905 . . . . 0.0 109.932 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -51.79 -47.0 64.42 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.243 0.617 . . . . 0.0 110.184 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.6 mt -60.29 -53.32 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.394 0.678 . . . . 0.0 109.716 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.81 -50.35 61.47 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 125.068 1.318 . . . . 0.0 110.224 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.1 mt -50.96 -61.71 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -50.66 -53.63 29.51 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 121.255 0.55 . . . . 0.0 111.452 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -75.21 -24.52 57.76 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.972 -0.537 . . . . 0.0 111.834 -171.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -63.06 -53.73 49.21 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.243 0.928 . . . . 0.0 109.073 169.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -63.1 -39.6 95.19 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 122.205 -0.309 . . . . 0.0 111.332 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -59.68 -48.45 81.64 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 172.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -42.78 -47.4 6.09 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 125.839 1.685 . . . . 0.0 112.206 174.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -49.5 -37.72 27.52 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.17 0.588 . . . . 0.0 112.36 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -109.9 30.54 6.61 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.525 1.13 . . . . 0.0 111.274 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.23 116.35 0.48 Allowed Glycine 0 CA--C 1.529 0.909 0 N-CA-C 109.619 -1.393 . . . . 0.0 109.619 -175.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.37 134.88 57.08 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 117.845 0.822 . . . . 0.0 111.647 -173.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -169.99 161.22 8.67 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 126.429 1.892 . . . . 0.0 106.061 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -79.6 33.29 0.25 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.094 0.861 . . . . 0.0 112.199 -174.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.7 p -148.32 118.49 7.27 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 125.516 1.526 . . . . 0.0 109.393 -174.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.8 mt -90.03 143.49 26.73 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 169.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.3 p -78.63 157.34 28.71 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 168.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -51.35 -47.04 62.88 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.259 0.552 . . . . 0.0 111.738 -176.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -73.51 -34.15 65.12 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.545 -0.722 . . . . 0.0 110.884 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.52 -44.81 95.45 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 121.741 -0.599 . . . . 0.0 109.809 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.566 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.8 tm? -54.09 -48.96 70.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 170.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -55.19 -44.86 75.69 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 120.911 -1.118 . . . . 0.0 110.636 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.99 -51.55 65.86 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.388 0.675 . . . . 0.0 110.431 175.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -44.33 -53.27 6.91 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 124.685 1.194 . . . . 0.0 110.197 171.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 54.8 mt -65.76 -44.46 93.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 O-C-N 121.685 -0.635 . . . . 0.0 111.787 -177.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -59.82 -43.81 94.34 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.607 -0.683 . . . . 0.0 110.606 178.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -80.11 -38.48 31.5 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.981 -0.449 . . . . 0.0 111.915 -173.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -80.14 -61.21 2.05 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 122.791 0.436 . . . . 0.0 110.62 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.9 mt -80.64 -45.96 16.41 Favored 'General case' 0 N--CA 1.463 0.181 0 O-C-N 121.589 -0.694 . . . . 0.0 110.294 -169.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m 60.87 55.82 3.07 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.286 0.565 . . . . 0.0 111.767 170.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.61 119.25 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 121.736 -0.602 . . . . 0.0 109.827 174.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.02 -31.52 66.7 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.5 t -70.69 75.53 0.6 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.286 1.035 . . . . 0.0 109.833 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -61.87 -21.33 64.6 Favored 'General case' 0 N--CA 1.461 0.125 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -172.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tt -45.9 -39.96 9.44 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.29 0.636 . . . . 0.0 110.256 168.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -77.16 4.51 10.22 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.724 0.809 . . . . 0.0 112.503 -176.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -48.24 -42.51 30.57 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 119.455 1.025 . . . . 0.0 110.801 170.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.53 -47.56 57.5 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.557 0.743 . . . . 0.0 111.285 173.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -64.22 -42.23 96.67 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.9 mm -56.63 -48.81 80.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.422 175.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.256 14.6 m -69.42 -31.99 51.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 119.846 1.203 . . . . 0.0 112.369 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -58.81 -53.11 62.07 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.205 0.911 . . . . 0.0 109.748 169.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.93 -44.18 74.04 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.222 1.009 . . . . 0.0 111.038 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.1 ttp -57.77 -49.84 75.25 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.443 1.097 . . . . 0.0 108.616 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -56.38 -48.04 77.69 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -56.03 -47.33 78.04 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.886 0.474 . . . . 0.0 111.523 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.33 -62.58 1.67 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.014 0.526 . . . . 0.0 110.017 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.1 -19.78 65.69 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -171.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -34.97 -53.44 0.57 Allowed 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 126.468 1.907 . . . . 0.0 110.949 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.595 HD21 ' HA ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -40.92 -38.24 0.93 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.932 1.293 . . . . 0.0 113.504 -178.106 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -147.16 59.13 1.17 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 13.61 82.93 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.653 2.381 . . . . 0.0 114.33 171.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 104.51 -15.43 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 128.703 2.801 . . . . 0.0 113.288 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -117.07 137.96 51.93 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.983 0.913 . . . . 0.0 109.619 172.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.595 ' HA ' HD21 ' A' ' 63' ' ' ASN . 13.8 p -107.86 112.65 41.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 123.218 0.607 . . . . 0.0 109.47 168.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -79.48 150.95 31.06 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.185 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -45.74 -50.73 13.54 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.498 1.119 . . . . 0.0 113.794 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -60.67 -41.06 94.3 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.371 -0.831 . . . . 0.0 110.586 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -74.99 -34.1 61.93 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.927 0.491 . . . . 0.0 110.872 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -55.68 -53.97 49.99 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 169.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.7 mm -56.06 -52.43 50.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.0 m -49.94 -51.59 39.97 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.607 0.363 . . . . 0.0 111.106 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.96 -42.97 99.72 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.717 0.407 . . . . 0.0 110.871 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.4 mt -57.07 -36.58 70.71 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.193 0.906 . . . . 0.0 110.102 173.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.66 -50.18 64.99 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 168.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.28 -44.25 79.6 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.21 1.005 . . . . 0.0 111.395 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 tp -58.59 -47.87 82.85 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.331 1.053 . . . . 0.0 109.517 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.466 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -59.14 -42.45 90.72 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.436 0.694 . . . . 0.0 111.223 175.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -61.09 -46.26 91.34 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.036 0.535 . . . . 0.0 110.265 176.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.32 -42.95 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -72.13 55.56 0.31 Allowed 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.944 -0.473 . . . . 0.0 110.721 170.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.28 -34.93 66.93 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.049 -1.032 . . . . 0.0 111.336 -170.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -48.43 -44.53 35.33 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.197 0.999 . . . . 0.0 110.918 173.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.65 81.35 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.108 0.563 . . . . 0.0 111.025 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.0 mt -59.57 -50.86 72.27 Favored 'General case' 0 C--N 1.339 0.139 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -69.29 -34.47 74.76 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 111.44 0.163 . . . . 0.0 111.44 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 117.183 -1.899 . . . . 0.0 113.61 -177.431 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.6 mmt . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 120.422 0.153 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.06 -28.38 67.75 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -169.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.97 -51.57 5.63 Favored Pre-proline 0 CA--C 1.539 0.534 0 C-N-CA 125.949 1.7 . . . . 0.0 115.402 -170.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.91 -35.62 98.29 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.129 2.553 . . . . 0.0 112.224 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.5 tp -78.79 -46.41 18.86 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.917 0.78 . . . . 0.0 109.308 175.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -49.61 -49.91 44.97 Favored 'General case' 0 C--N 1.339 0.14 0 C-N-CA 123.139 0.576 . . . . 0.0 110.761 -177.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -59.15 -39.23 81.81 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 111.399 0.148 . . . . 0.0 111.399 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.14 -53.07 27.84 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.901 -0.499 . . . . 0.0 110.766 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 36.7 pt -57.59 -43.93 84.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 176.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.07 -47.37 15.11 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 125.492 1.52 . . . . 0.0 112.462 170.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -60.69 3.17 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.85 0.86 . . . . 0.0 110.225 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -51.85 -46.46 64.4 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 123.476 0.71 . . . . 0.0 110.109 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.466 HD11 ' HB1' ' A' ' 81' ' ' ALA . 62.8 mt -59.48 -51.76 68.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 122.607 0.363 . . . . 0.0 110.381 -178.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.55 -54.63 34.76 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.0 mt -49.09 -42.44 14.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 123.166 0.586 . . . . 0.0 110.656 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -66.13 -66.33 0.56 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.659 0.742 . . . . 0.0 111.433 176.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -66.25 -24.22 66.55 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -166.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -52.48 -46.56 66.6 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.886 0.766 . . . . 0.0 109.794 169.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -80.51 -40.34 26.23 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 118.708 -0.663 . . . . 0.0 110.191 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.9 m -50.17 -41.74 49.79 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.989 0.813 . . . . 0.0 110.879 169.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -43.72 -35.24 3.04 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.226 0.917 . . . . 0.0 113.582 173.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -58.5 -48.59 80.31 Favored 'General case' 0 C--N 1.34 0.196 0 CA-C-N 118.591 1.195 . . . . 0.0 110.187 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -82.35 52.83 2.13 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.648 0.737 . . . . 0.0 109.174 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.48 -65.04 1.73 Allowed Glycine 0 CA--C 1.528 0.878 0 C-N-CA 124.967 1.27 . . . . 0.0 112.479 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -166.51 -113.8 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 -173.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 83.6 mttt 69.76 156.41 0.14 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.205 1.802 . . . . 0.0 113.097 171.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -96.4 33.45 1.79 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.407 0.683 . . . . 0.0 109.54 170.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 40.9 p -128.85 164.37 23.23 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.634 1.574 . . . . 0.0 108.923 -177.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 tt -149.85 119.94 7.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.2 p -77.91 167.38 21.59 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.634 0.652 . . . . 0.0 112.184 -169.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -58.07 -56.2 25.11 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -168.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -80.21 -24.52 40.17 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 121.251 -0.906 . . . . 0.0 110.827 -178.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -60.06 -44.23 94.85 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.458 0.703 . . . . 0.0 109.343 170.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.518 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.9 tm? -56.61 -50.18 72.74 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 171.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -53.87 -45.0 70.89 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.453 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -56.74 -48.83 76.93 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.049 0.54 . . . . 0.0 110.994 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 tt -49.14 -53.62 20.05 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 123.189 0.596 . . . . 0.0 109.492 174.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.7 mt -60.68 -53.78 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 O-C-N 121.741 -0.599 . . . . 0.0 110.327 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -49.62 -47.32 49.79 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 119.004 -0.522 . . . . 0.0 110.709 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -79.76 -50.69 10.2 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.5 -177.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -75.25 -42.99 53.9 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.235 0.47 . . . . 0.0 111.811 -169.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -77.85 -24.24 48.66 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 174.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.6 m 62.84 55.73 2.01 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.809 0.814 . . . . 0.0 109.519 171.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 19.5 tt -70.08 81.6 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 123.491 0.717 . . . . 0.0 111.274 -172.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -35.44 115.03 0.19 Allowed Glycine 0 CA--C 1.53 0.984 0 C-N-CA 126.181 1.848 . . . . 0.0 112.551 175.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m 58.0 19.53 5.99 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.987 1.315 . . . . 0.0 113.943 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 60.0 mttp 53.93 28.22 8.28 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.727 1.211 . . . . 0.0 112.957 171.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 93.0 mt -56.3 -45.38 80.24 Favored 'General case' 0 N--CA 1.461 0.106 0 O-C-N 121.391 -0.818 . . . . 0.0 112.196 -169.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -96.23 26.62 4.15 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.023 0.529 . . . . 0.0 111.559 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -53.64 -39.78 65.29 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.975 0.807 . . . . 0.0 112.461 -175.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.28 -47.75 65.7 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.271 0.557 . . . . 0.0 110.942 174.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -63.18 -43.65 97.64 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 23.3 mm -56.32 -45.79 81.49 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.371 176.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.273 12.5 m -69.65 -35.18 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-N 120.505 1.502 . . . . 0.0 112.732 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -58.92 -51.84 68.33 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.601 1.092 . . . . 0.0 110.017 171.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.64 -45.13 73.71 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.442 1.097 . . . . 0.0 110.936 176.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -61.63 -44.74 96.41 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.786 0.835 . . . . 0.0 109.266 177.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -54.64 -50.38 68.28 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 175.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -56.82 -52.87 63.39 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.824 -0.548 . . . . 0.0 110.84 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.39 -58.85 5.4 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.621 0.769 . . . . 0.0 111.137 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.48 -30.87 64.92 Favored 'General case' 0 N--CA 1.457 -0.081 0 O-C-N 121.82 -0.55 . . . . 0.0 111.697 -172.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -59.27 -33.93 71.65 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -47.53 -35.27 8.68 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.693 0.797 . . . . 0.0 112.249 176.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 tpmt? -136.0 59.47 1.71 Allowed 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 167.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.262 3.8 p30 56.48 -65.27 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 128.209 2.604 . . . . 0.0 115.707 172.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -127.05 -2.4 6.45 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 125.932 1.693 . . . . 0.0 111.852 -176.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -138.8 167.18 22.57 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.218 0.607 . . . . 0.0 110.064 177.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 t -109.77 126.82 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 N-CA-C 105.412 -2.07 . . . . 0.0 105.412 169.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -83.79 159.29 21.46 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.196 0.907 . . . . 0.0 108.93 168.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -51.27 -49.88 60.34 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -176.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -58.99 -46.82 87.21 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.49 -0.756 . . . . 0.0 110.176 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -59.33 -45.79 90.36 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 123.657 0.783 . . . . 0.0 109.909 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -53.96 -52.96 59.0 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.236 0.614 . . . . 0.0 110.492 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.5 mm -57.83 -52.9 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 118.102 0.41 . . . . 0.0 110.215 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 78.3 m -49.9 -49.99 47.64 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.777 0.431 . . . . 0.0 110.947 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -59.17 -44.53 92.16 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.986 0.514 . . . . 0.0 110.669 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 75.3 mt -59.46 -35.44 74.07 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.093 0.86 . . . . 0.0 110.977 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.8 -47.68 87.07 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 169.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.9 -46.01 78.49 Favored 'General case' 0 C--O 1.222 -0.345 0 O-C-N 121.952 -0.734 . . . . 0.0 110.288 174.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 7.5 tp -60.39 -42.8 96.65 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.179 0.991 . . . . 0.0 110.819 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.81 -48.63 69.67 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.83 -0.544 . . . . 0.0 109.982 171.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 31.0 ttp -65.16 -35.39 80.95 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 5.5 mm -58.74 -50.24 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 C-N-CA 123.79 0.836 . . . . 0.0 108.946 173.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -56.68 -43.09 80.1 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 177.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.5 t30 70.49 -61.54 0.46 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.192 1.797 . . . . 0.0 113.146 168.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -49.32 -44.49 44.37 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.387 1.075 . . . . 0.0 109.709 176.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.14 -43.06 6.78 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.736 1.214 . . . . 0.0 112.31 173.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.36 -34.96 79.55 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.613 0.365 . . . . 0.0 110.917 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -73.25 -44.61 59.1 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.238 0 CA-C-O 117.091 -1.949 . . . . 0.0 110.222 174.893 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.0 mmm . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 120.975 0.416 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.23 37.04 0.25 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.863 0.865 . . . . 0.0 112.992 -172.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -46.57 -49.66 44.75 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -169.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.06 -44.85 42.98 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.72 2.28 . . . . 0.0 112.499 -178.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.2 tp -74.67 -45.93 41.35 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -50.71 -48.79 58.67 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.512 0.725 . . . . 0.0 110.703 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -62.3 -38.92 91.24 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.295 0.498 . . . . 0.0 111.433 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.38 -53.47 35.61 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.569 -0.707 . . . . 0.0 111.327 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.0 pt -58.18 -42.17 82.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 175.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.2 -44.38 9.88 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 125.481 1.515 . . . . 0.0 112.219 169.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -61.46 2.57 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.017 0.908 . . . . 0.0 110.188 177.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -51.59 -46.92 63.68 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.666 0.786 . . . . 0.0 110.317 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.518 HD11 ' HB1' ' B' ' 81' ' ' ALA . 63.4 mt -61.14 -51.15 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.119 0.968 . . . . 0.0 109.683 -178.415 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.57 -55.47 29.67 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mt -49.12 -51.99 11.72 Favored 'Isoleucine or valine' 0 C--N 1.34 0.164 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -59.52 -67.07 0.41 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.346 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -27.58 68.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -168.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -56.86 -50.65 71.82 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 170.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -64.2 -44.88 90.6 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-O 118.827 -0.606 . . . . 0.0 110.665 175.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.8 m -48.81 -44.16 38.95 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 118.672 0.669 . . . . 0.0 111.185 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -40.04 -34.82 0.6 Allowed Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.803 1.192 . . . . 0.0 113.941 176.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -56.71 -43.81 80.93 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.006 0.903 . . . . 0.0 111.898 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -89.55 -39.45 13.29 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.569 1.148 . . . . 0.0 110.842 177.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.26 168.98 24.96 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 177.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.49 63.25 1.47 Allowed 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.807 -0.82 . . . . 0.0 109.81 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -120.42 147.23 45.35 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 126.162 1.785 . . . . 0.0 107.864 -174.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -78.18 48.78 0.77 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 122.957 0.503 . . . . 0.0 110.891 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.9 p -144.38 156.54 44.27 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.074 1.349 . . . . 0.0 109.912 -172.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.0 mt -132.33 135.74 46.39 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 167.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -75.82 149.48 37.88 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 119.832 1.196 . . . . 0.0 108.952 172.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -50.64 -47.76 58.4 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.542 0.687 . . . . 0.0 112.847 -169.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 tmpt? -71.04 -29.41 65.31 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.387 -0.821 . . . . 0.0 111.235 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -66.47 -41.94 88.26 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.262 -0.899 . . . . 0.0 109.127 175.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.509 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.0 tm? -57.05 -49.35 76.11 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 169.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -52.95 -44.33 67.01 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 119.42 -0.912 . . . . 0.0 110.464 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.41 -49.39 74.67 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.59 0.632 . . . . 0.0 111.101 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 tt -50.26 -52.07 39.37 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 124.082 0.953 . . . . 0.0 109.712 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.8 mt -63.72 -47.44 91.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.278 0 CA-C-O 118.912 -0.566 . . . . 0.0 111.031 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -53.63 -43.76 68.98 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 119.134 0.879 . . . . 0.0 110.373 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -68.61 -51.04 46.7 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.98 0.355 . . . . 0.0 111.889 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -74.46 -63.2 1.29 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 122.166 0.984 . . . . 0.0 109.076 -174.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.6 mt -94.6 78.92 3.78 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 124.625 1.17 . . . . 0.0 108.091 -173.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 p -71.69 66.08 0.51 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.392 1.077 . . . . 0.0 111.784 -175.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 pp -70.6 80.12 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-O 121.657 0.741 . . . . 0.0 109.126 169.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.49 -30.98 4.73 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 124.997 1.284 . . . . 0.0 112.304 173.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 p -67.77 62.71 0.08 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.988 1.715 . . . . 0.0 110.414 169.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -64.31 -5.03 4.35 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -173.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.424 ' H ' HD22 ' A' ' 48' ' ' LEU . 3.1 mm? -54.7 -31.31 57.83 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.293 -0.879 . . . . 0.0 109.198 167.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -63.02 -5.79 3.33 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 174.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -47.48 -37.88 12.7 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 119.917 1.235 . . . . 0.0 111.912 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.68 -50.36 55.11 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.498 0.59 . . . . 0.0 111.529 172.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -60.97 -46.86 89.04 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 33.9 mm -56.57 -41.74 74.12 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.041 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.2 m -75.04 -31.89 25.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 120.343 1.429 . . . . 0.0 112.555 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.29 -51.84 68.24 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.476 1.035 . . . . 0.0 109.235 169.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -54.76 -45.4 74.19 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.659 0.784 . . . . 0.0 110.911 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.5 ttp -57.25 -47.4 81.48 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 124.31 1.044 . . . . 0.0 109.135 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -56.72 -49.05 76.34 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.074 0.397 . . . . 0.0 109.991 175.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -60.06 -34.16 73.04 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.6 mt -71.83 -59.23 2.85 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.414 0.685 . . . . 0.0 110.382 172.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.19 -15.55 63.77 Favored 'General case' 0 C--O 1.227 -0.08 0 C-N-CA 124.557 1.143 . . . . 0.0 113.038 -172.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.2 ttp85 -34.16 -39.48 0.08 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.122 1.769 . . . . 0.0 111.059 168.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -30.44 -57.5 0.2 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.777 1.231 . . . . 0.0 113.985 168.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.2 ptpp? -152.71 32.97 0.49 Allowed 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 173.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.306 1.6 p30 61.63 -56.98 0.11 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 128.514 2.726 . . . . 0.0 114.679 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.1 -42.09 73.15 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 123.75 0.82 . . . . 0.0 109.551 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -127.69 155.36 44.08 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.154 0.982 . . . . 0.0 112.912 -173.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 t -92.72 151.93 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 C-N-CA 129.11 2.964 . . . . 0.0 104.911 166.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -112.56 148.91 33.53 Favored 'General case' 0 CA--C 1.523 -0.078 0 C-N-CA 123.458 0.703 . . . . 0.0 109.163 169.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -42.93 -58.38 2.43 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.89 1.276 . . . . 0.0 114.108 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 tm0? -59.88 -42.72 94.39 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 121.539 -0.726 . . . . 0.0 109.267 -174.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -68.83 -35.02 76.45 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.856 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -56.64 -51.5 68.46 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.273 0.629 . . . . 0.0 110.12 170.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.2 mm -57.83 -51.15 73.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 118.55 0.614 . . . . 0.0 109.985 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.8 m -50.15 -50.09 50.02 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.502 0.668 . . . . 0.0 110.699 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -62.95 -43.97 97.34 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 123.058 0.543 . . . . 0.0 110.621 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.1 mt -56.71 -36.27 69.49 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.136 0.88 . . . . 0.0 110.157 172.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.54 -51.12 59.73 Favored Glycine 0 CA--C 1.526 0.749 0 O-C-N 121.839 -0.538 . . . . 0.0 111.812 169.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.56 -45.09 77.32 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.919 -0.753 . . . . 0.0 111.082 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 tp -56.47 -48.79 76.38 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.704 1.202 . . . . 0.0 110.043 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.419 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -57.57 -44.84 85.61 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.701 0.8 . . . . 0.0 110.626 176.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 23.3 ttt -64.53 -40.29 95.34 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 122.201 -0.312 . . . . 0.0 111.38 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.7 mt -60.8 -41.85 90.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 123.82 0.848 . . . . 0.0 109.214 174.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -72.36 55.71 0.34 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.145 0.578 . . . . 0.0 110.082 169.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -55.97 -34.74 66.01 Favored 'General case' 0 N--CA 1.456 -0.133 0 O-C-N 121.406 -0.809 . . . . 0.0 112.106 -169.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -47.41 -45.32 25.31 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.928 0.891 . . . . 0.0 111.385 172.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.97 97.2 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 123.011 0.524 . . . . 0.0 110.729 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.4 mt -61.91 -52.31 64.61 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -58.3 -39.04 78.29 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.577 0.751 . . . . 0.0 111.374 -176.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.137 0 CA-C-O 117.208 -1.885 . . . . 0.0 110.668 175.611 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 36.4 ttm . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.48 -31.68 42.39 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.028 0.442 . . . . 0.0 111.87 -169.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -44.73 -52.42 18.4 Favored Pre-proline 0 N--CA 1.45 -0.447 0 C-N-CA 125.45 1.5 . . . . 0.0 113.915 -171.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -52.83 -54.53 4.95 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 123.446 2.764 . . . . 0.0 112.364 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 51.9 tp -66.08 -45.75 80.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.062 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -53.22 -50.73 64.12 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 122.381 0.272 . . . . 0.0 110.821 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -62.27 -38.92 91.14 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 122.171 -0.331 . . . . 0.0 110.77 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.69 -54.39 36.36 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.923 -0.486 . . . . 0.0 111.71 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 30.3 pt -57.93 -42.12 81.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 118.78 0.718 . . . . 0.0 109.095 176.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.92 -45.56 19.28 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 125.147 1.356 . . . . 0.0 112.522 169.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.55 -58.66 7.35 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.234 1.017 . . . . 0.0 109.708 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -52.68 -46.6 67.33 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.504 0.722 . . . . 0.0 110.109 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.419 HD11 ' HB1' ' A' ' 81' ' ' ALA . 62.2 mt -60.83 -51.1 77.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 122.806 0.443 . . . . 0.0 110.131 -178.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.46 -55.61 27.72 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -49.57 -43.57 18.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 C-N-CA 123.2 0.6 . . . . 0.0 110.286 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -64.47 -62.8 1.37 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.851 0.75 . . . . 0.0 111.22 176.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -64.9 -26.42 68.31 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.861 1.059 . . . . 0.0 113.861 -168.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -51.76 -45.6 63.78 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.379 0.536 . . . . 0.0 110.23 169.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -81.14 -43.83 18.8 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 118.943 -0.551 . . . . 0.0 110.849 -177.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.7 p -57.17 -33.22 67.23 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 119.408 -0.917 . . . . 0.0 110.816 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -39.49 -49.11 3.05 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.989 1.281 . . . . 0.0 111.594 168.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -53.8 -42.09 67.98 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 123.352 0.661 . . . . 0.0 111.19 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -98.9 29.45 3.8 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.254 0.622 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.08 31.49 10.83 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 121.778 -0.576 . . . . 0.0 113.651 171.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 33.1 t70 58.26 40.52 24.58 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.54 1.136 . . . . 0.0 112.457 169.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -82.77 175.14 10.35 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.396 0.678 . . . . 0.0 109.85 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -91.98 39.12 1.01 Allowed 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.437 -0.789 . . . . 0.0 109.662 170.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 41.5 p -141.29 156.52 45.85 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.329 1.452 . . . . 0.0 109.396 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 90.5 mt -130.44 134.42 47.09 Favored 'General case' 0 C--O 1.225 -0.208 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 167.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.5 p -76.16 151.9 36.82 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.701 1.137 . . . . 0.0 108.07 173.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -54.72 -41.96 70.96 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -167.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -78.26 -26.79 47.36 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.177 -0.952 . . . . 0.0 111.406 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -65.18 -38.3 90.1 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.21 -0.931 . . . . 0.0 109.419 170.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.504 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.9 tm? -57.22 -48.61 78.37 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 170.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -53.51 -46.84 70.21 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.773 1.17 . . . . 0.0 111.261 174.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -50.81 -51.02 54.95 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.535 0.734 . . . . 0.0 110.253 176.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tt -52.9 -53.49 48.42 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 124.056 0.942 . . . . 0.0 109.715 175.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 56.6 mt -59.91 -55.37 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 O-C-N 122.211 -0.306 . . . . 0.0 110.356 -176.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -56.47 -38.41 71.66 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 119.049 -0.5 . . . . 0.0 111.275 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -80.07 -54.54 5.69 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.516 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -81.23 -47.33 13.53 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.586 0.754 . . . . 0.0 111.55 -169.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 8.9 mp -88.95 66.51 7.91 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.0 61.64 0.27 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.453 1.501 . . . . 0.0 113.318 -168.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 21.9 pt -67.32 128.41 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 O-C-N 121.054 -1.029 . . . . 0.0 109.492 174.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.87 -35.05 91.44 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.426 -1.069 . . . . 0.0 110.426 174.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.5 p -73.98 62.66 0.89 Allowed 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 126.579 1.951 . . . . 0.0 111.415 -177.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -53.56 -25.07 15.51 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.561 1.145 . . . . 0.0 112.477 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 81.5 mt -47.5 -31.03 3.89 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.239 1.016 . . . . 0.0 112.32 171.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -67.3 1.23 2.28 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -46.21 -38.99 9.09 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.895 1.225 . . . . 0.0 112.598 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.64 -47.68 70.07 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.335 0.588 . . . . 0.0 111.43 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.45 -43.28 94.73 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 28.4 mm -55.46 -44.5 76.21 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 118.299 -0.857 . . . . 0.0 111.218 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.251 7.9 m -67.12 -39.25 82.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 120.352 1.433 . . . . 0.0 112.119 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -59.12 -49.58 77.32 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.516 -0.74 . . . . 0.0 110.212 173.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tt -56.99 -44.57 82.86 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.985 0.914 . . . . 0.0 111.036 176.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -58.69 -43.77 90.08 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.364 1.066 . . . . 0.0 109.928 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -59.06 -49.83 76.41 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.253 0.479 . . . . 0.0 109.846 173.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -59.08 -33.66 71.07 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.46 -58.14 4.03 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.383 0.673 . . . . 0.0 109.873 172.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -64.81 -22.03 66.9 Favored 'General case' 0 C--O 1.228 -0.044 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -172.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -27.5 -46.8 0.03 OUTLIER 'General case' 0 C--N 1.341 0.212 0 C-N-CA 127.015 2.126 . . . . 0.0 111.179 169.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -24.19 -63.76 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.128 1.771 . . . . 0.0 113.58 168.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -145.95 28.58 1.13 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.163 0.985 . . . . 0.0 111.51 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.286 3.1 p30 58.13 -60.67 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 128.736 2.814 . . . . 0.0 114.923 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -63.41 -34.01 76.79 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.011 1.324 . . . . 0.0 111.03 176.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -149.89 154.81 38.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -167.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.1 152.04 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 127.732 2.413 . . . . 0.0 107.241 169.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -113.09 150.62 31.83 Favored 'General case' 0 CA--C 1.523 -0.066 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 169.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -43.38 -55.22 4.23 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -63.94 -41.86 97.49 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.325 -0.859 . . . . 0.0 109.824 -174.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -64.22 -38.32 90.64 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 122.316 -0.24 . . . . 0.0 111.179 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -55.06 -52.84 61.95 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.253 0.621 . . . . 0.0 109.83 172.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 15.7 mm -60.47 -48.62 87.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-N 118.686 0.676 . . . . 0.0 110.474 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 34.7 m -48.82 -51.93 26.82 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.957 0.903 . . . . 0.0 110.053 177.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -61.41 -47.15 87.11 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 123.529 0.732 . . . . 0.0 110.485 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 74.4 mt -54.78 -34.0 62.09 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 119.039 0.836 . . . . 0.0 110.852 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.17 -51.01 58.57 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 169.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.94 -49.12 79.03 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.039 -0.683 . . . . 0.0 110.789 176.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 tp -51.02 -50.42 58.56 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.58 1.152 . . . . 0.0 110.147 177.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.518 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -58.9 -47.36 85.27 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.708 0.803 . . . . 0.0 110.66 178.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 26.0 ttp -62.82 -37.97 88.89 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 122.102 -0.374 . . . . 0.0 111.251 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.22 -40.84 90.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.677 1.191 . . . . 0.0 109.777 174.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 15.6 m-30 -72.88 53.6 0.35 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.873 0.76 . . . . 0.0 109.671 169.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -59.79 -28.84 67.77 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -167.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -46.18 -41.77 13.14 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.627 0.771 . . . . 0.0 110.603 171.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.61 -35.95 79.35 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.628 0.371 . . . . 0.0 111.579 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 16.8 mt -73.1 -51.86 16.44 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 175.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -54.61 -46.16 73.8 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 122.335 -0.228 . . . . 0.0 111.58 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.225 0 CA-C-O 117.498 -1.724 . . . . 0.0 111.219 -174.797 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.3 mtp . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.43 -5.6 34.03 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.373 0.669 . . . . 0.0 112.658 173.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.27 -46.51 3.89 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 126.712 2.005 . . . . 0.0 114.476 -178.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -59.25 -39.3 79.39 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.779 2.319 . . . . 0.0 112.811 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.9 tp -80.27 -45.41 17.97 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -50.07 -47.05 53.8 Favored 'General case' 0 C--O 1.226 -0.143 0 C-N-CA 123.779 0.832 . . . . 0.0 110.646 -177.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -61.9 -37.77 85.87 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.779 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.17 -52.93 23.05 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.739 -0.601 . . . . 0.0 110.67 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.7 pt -58.47 -41.46 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 119.74 -0.784 . . . . 0.0 109.101 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.48 -46.35 17.23 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.415 1.483 . . . . 0.0 112.044 170.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -59.58 4.8 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.205 1.002 . . . . 0.0 110.044 177.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -51.42 -49.27 61.97 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 123.293 0.637 . . . . 0.0 110.245 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.29 -47.36 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 123.365 0.666 . . . . 0.0 109.624 -176.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.05 -54.13 40.59 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 124.949 1.262 . . . . 0.0 110.318 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 mt -50.44 -56.62 3.67 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -51.37 -58.36 6.44 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.05 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -67.09 -30.56 70.63 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 118.88 -0.581 . . . . 0.0 112.435 -172.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -56.71 -46.86 81.0 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.693 0.679 . . . . 0.0 109.84 170.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -66.96 -45.51 77.52 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 118.317 -0.849 . . . . 0.0 111.379 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.5 m -49.31 -46.84 47.12 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 119.651 1.114 . . . . 0.0 111.056 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.24 -31.87 2.38 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.13 0.872 . . . . 0.0 114.053 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -58.58 -38.29 77.59 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.385 1.074 . . . . 0.0 111.793 177.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -98.43 -45.25 6.2 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.575 1.15 . . . . 0.0 111.001 177.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.05 163.23 19.18 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 108.975 -1.65 . . . . 0.0 108.975 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -77.55 49.29 0.72 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.538 -0.978 . . . . 0.0 111.973 -177.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -96.66 148.05 23.27 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 106.814 -1.551 . . . . 0.0 106.814 171.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -78.91 57.78 2.23 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 122.011 0.91 . . . . 0.0 109.693 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.8 m -156.23 155.81 33.02 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.261 1.424 . . . . 0.0 109.189 -169.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.2 mt -129.61 157.75 41.21 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 125.47 1.508 . . . . 0.0 107.355 167.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 m -97.14 176.62 5.87 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.282 0.633 . . . . 0.0 110.124 169.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.09 -65.8 0.59 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.032 1.333 . . . . 0.0 112.059 -171.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -36.81 83.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.392 -177.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -58.46 -45.74 87.99 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.8 0.44 . . . . 0.0 111.142 176.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.525 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.6 tm? -57.19 -49.35 76.25 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -57.98 -38.13 75.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 118.9 -1.12 . . . . 0.0 111.028 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -59.52 -49.69 76.82 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.993 0.917 . . . . 0.0 110.279 175.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 tt -46.31 -54.44 8.95 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.661 0.784 . . . . 0.0 109.922 170.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.9 mt -62.12 -50.32 80.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 O-C-N 121.735 -0.603 . . . . 0.0 111.73 -177.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -61.2 -37.25 82.32 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.558 -0.713 . . . . 0.0 111.113 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -79.72 -46.8 16.39 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.774 0.715 . . . . 0.0 111.466 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -80.78 -48.72 12.08 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.091 0.556 . . . . 0.0 112.051 -174.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.4 mt -85.89 -51.01 6.66 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.1 m 62.59 66.65 0.76 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.839 0.828 . . . . 0.0 111.113 177.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 pt -66.87 81.16 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.556 173.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -40.09 -43.94 2.73 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.496 1.522 . . . . 0.0 112.674 176.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.3 m -68.48 66.0 0.12 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.386 1.074 . . . . 0.0 110.946 169.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -61.96 -7.21 3.53 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -169.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.434 ' H ' HD22 ' A' ' 48' ' ' LEU . 3.1 mm? -54.1 -37.33 64.15 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.841 -1.162 . . . . 0.0 108.903 167.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -62.82 -9.1 8.31 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.7 0.8 . . . . 0.0 112.938 177.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -48.86 -36.19 16.43 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.809 1.186 . . . . 0.0 110.786 170.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.93 -46.77 74.97 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 122.681 0.392 . . . . 0.0 111.254 173.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.99 -45.44 92.41 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.9 mm -56.62 -42.97 77.69 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.244 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.774 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.6 m -65.81 -37.01 78.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 120.481 1.491 . . . . 0.0 111.97 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -62.81 -50.99 68.8 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.25 0.932 . . . . 0.0 110.019 173.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.08 -43.46 66.76 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.227 1.011 . . . . 0.0 111.004 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -63.77 -47.56 80.44 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.572 1.149 . . . . 0.0 109.392 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -51.73 -53.04 43.81 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -54.18 -53.15 57.31 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.904 0.481 . . . . 0.0 110.54 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mt -49.44 -55.86 11.7 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.058 0.943 . . . . 0.0 110.989 177.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.17 -32.9 61.39 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.781 -0.575 . . . . 0.0 112.113 -173.013 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.0 ttm-85 -59.13 -34.54 72.17 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 123.113 0.565 . . . . 0.0 111.403 -169.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -49.48 -37.66 27.11 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 174.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -119.69 51.6 1.16 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.203 1.001 . . . . 0.0 109.07 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.273 4.0 p30 59.3 -58.98 0.05 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 129.307 3.043 . . . . 0.0 116.419 169.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -133.98 -21.68 1.87 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.414 1.486 . . . . 0.0 112.042 -172.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -120.12 152.62 37.35 Favored 'General case' 0 C--O 1.225 -0.191 0 C-N-CA 123.845 0.858 . . . . 0.0 109.17 -172.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.0 t -96.11 106.41 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -78.39 152.91 32.01 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.745 -0.597 . . . . 0.0 109.581 176.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -46.69 -55.23 8.1 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -64.48 -39.39 93.71 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.432 -0.793 . . . . 0.0 109.682 -174.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -57.47 -48.84 78.11 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.999 0.519 . . . . 0.0 110.166 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -51.68 -52.56 47.19 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.948 0.499 . . . . 0.0 110.643 176.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.5 mm -57.23 -52.87 51.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 118.306 0.503 . . . . 0.0 110.207 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.6 m -50.04 -52.04 37.44 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.629 0.772 . . . . 0.0 110.469 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -62.68 -43.4 98.89 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 123.525 0.73 . . . . 0.0 110.805 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.7 mt -55.82 -33.09 64.13 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.196 0.907 . . . . 0.0 110.227 173.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.81 -49.36 78.65 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 121.889 -0.507 . . . . 0.0 111.978 169.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.51 -47.34 82.22 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 117.782 0.791 . . . . 0.0 110.96 175.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.0 tp -55.05 -47.76 74.36 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.79 1.236 . . . . 0.0 109.717 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.481 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -58.85 -45.88 89.05 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.473 0.709 . . . . 0.0 110.96 176.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 57.5 ttm -60.06 -43.59 95.32 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 118.385 0.539 . . . . 0.0 110.568 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 83.1 mt -56.19 -43.26 75.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -72.21 51.62 0.24 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.661 0.784 . . . . 0.0 111.844 169.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -45.98 -32.56 2.82 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 127.635 2.374 . . . . 0.0 112.366 172.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.2 mp0 -58.96 -42.26 89.49 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.515 0.726 . . . . 0.0 110.102 176.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.11 -41.92 85.39 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.538 0.735 . . . . 0.0 110.501 177.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -54.32 -56.99 12.98 Favored 'General case' 0 C--N 1.341 0.202 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 174.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -59.86 -53.82 53.47 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 122.124 -0.36 . . . . 0.0 110.787 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.203 0 CA-C-O 117.356 -1.802 . . . . 0.0 113.02 174.164 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 43.4 ttm . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.523 0.202 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 75.34 -50.13 0.64 Allowed 'General case' 0 C--O 1.232 0.157 0 C-N-CA 126.796 2.039 . . . . 0.0 112.005 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.74 -49.66 5.49 Favored Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 124.906 1.283 . . . . 0.0 113.802 -176.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.0 -40.87 82.29 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.87 2.38 . . . . 0.0 113.113 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 53.1 tp -79.73 -44.54 20.57 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -50.48 -47.27 57.15 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 123.668 0.787 . . . . 0.0 110.659 -177.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -60.99 -38.91 87.67 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.228 0.467 . . . . 0.0 111.522 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.56 -53.95 19.74 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.744 -0.598 . . . . 0.0 110.843 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 46.4 pt -58.3 -41.35 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 119.781 -0.767 . . . . 0.0 109.156 175.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.67 -44.42 17.06 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 125.95 1.738 . . . . 0.0 112.249 170.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -60.19 4.01 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 118.188 0.994 . . . . 0.0 109.909 178.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -53.38 -46.29 69.59 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 123.649 0.78 . . . . 0.0 110.632 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.481 HD11 ' HB1' ' A' ' 81' ' ' ALA . 54.4 mt -60.84 -51.54 72.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 123.895 0.878 . . . . 0.0 109.536 -177.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.62 -57.85 16.77 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mt -46.54 -50.42 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 123.49 0.716 . . . . 0.0 109.939 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -64.82 -66.59 0.52 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.317 0.58 . . . . 0.0 111.857 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -69.82 -25.57 63.83 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -167.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -45.34 91.97 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 170.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -63.13 -52.52 62.21 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 118.4 -0.81 . . . . 0.0 110.999 173.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -46.07 -47.81 17.1 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.792 0.724 . . . . 0.0 110.918 177.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -40.67 -33.88 0.66 Allowed Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.885 1.707 . . . . 0.0 114.383 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -51.08 -46.28 61.73 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.333 1.066 . . . . 0.0 111.221 174.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -94.99 -38.23 10.76 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.139 0.976 . . . . 0.0 111.289 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.8 154.88 8.93 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 109.266 -1.533 . . . . 0.0 109.266 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -77.39 57.22 1.48 Allowed 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.562 -0.964 . . . . 0.0 110.909 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -106.48 150.69 25.84 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.815 1.646 . . . . 0.0 107.834 176.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -79.44 52.01 1.31 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.253 0.621 . . . . 0.0 111.067 -173.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 13.1 p -147.24 148.99 32.04 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 126.375 1.87 . . . . 0.0 110.019 -169.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 97.2 mt -129.09 151.04 50.21 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 166.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 27.2 p -89.23 160.39 16.96 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 169.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -62.54 -44.21 96.92 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.011 -1.055 . . . . 0.0 112.919 -169.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -74.71 -32.9 62.28 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 120.712 -1.242 . . . . 0.0 110.615 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -58.33 -40.63 82.61 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.438 -0.789 . . . . 0.0 110.149 170.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.467 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.8 tm? -57.16 -44.76 83.77 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.735 -0.603 . . . . 0.0 109.863 171.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -56.49 -46.99 80.21 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 120.414 -1.429 . . . . 0.0 110.879 172.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -54.69 -38.28 66.83 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.464 0.706 . . . . 0.0 111.22 177.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 tt -60.24 -57.87 10.93 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 123.788 0.835 . . . . 0.0 109.783 170.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 44.2 mt -56.08 -50.73 68.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 O-C-N 122.118 -0.364 . . . . 0.0 111.557 -174.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -59.23 -31.52 69.13 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.183 0.447 . . . . 0.0 111.814 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -80.95 -58.13 3.23 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.075 0.464 . . . . 0.0 111.223 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -80.54 -42.93 21.52 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.096 0.959 . . . . 0.0 112.476 -168.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.1 mt -89.47 -41.15 12.23 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . 0.283 0.7 OUTLIER 46.68 63.86 1.75 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.053 1.741 . . . . 0.0 111.691 171.838 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.77 -21.64 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 114.454 -1.248 . . . . 0.0 113.136 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.21 -59.55 3.97 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.2 m -64.04 72.74 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.606 1.962 . . . . 0.0 112.526 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -52.84 -25.46 11.58 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.184 0.994 . . . . 0.0 112.912 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 83.1 mt -47.62 -35.81 9.91 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.566 0.746 . . . . 0.0 111.968 171.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -74.97 5.18 5.43 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.755 0.822 . . . . 0.0 112.802 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -48.25 -39.16 20.49 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 119.477 1.035 . . . . 0.0 112.168 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.46 -49.25 55.7 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.277 0.56 . . . . 0.0 111.289 173.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.87 -42.31 97.56 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 33.4 mm -56.97 -45.41 83.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 118.456 -0.783 . . . . 0.0 110.927 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.6 m -71.69 -31.83 43.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 120.196 1.362 . . . . 0.0 112.457 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -60.23 -51.82 67.92 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.641 1.11 . . . . 0.0 109.558 169.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 tt -55.49 -44.19 76.3 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.419 0.688 . . . . 0.0 110.889 176.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 39.4 ttp -56.26 -50.56 70.97 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.109 0.964 . . . . 0.0 109.439 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -55.08 -47.75 74.47 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.935 0.494 . . . . 0.0 110.21 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -58.43 -45.31 88.73 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 122.157 -0.339 . . . . 0.0 111.08 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.38 -56.72 18.01 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.39 0.676 . . . . 0.0 110.765 174.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -70.9 -15.87 62.64 Favored 'General case' 0 C--N 1.334 -0.081 0 C-N-CA 124.029 0.931 . . . . 0.0 113.085 -171.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -34.15 -47.35 0.28 Allowed 'General case' 0 C--N 1.342 0.255 0 C-N-CA 125.286 1.434 . . . . 0.0 110.277 168.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -28.99 -55.53 0.13 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 126.421 1.889 . . . . 0.0 114.362 171.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -158.3 50.38 0.4 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.505 0.722 . . . . 0.0 109.904 -176.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 p30 50.84 -70.17 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.376 2.67 . . . . 0.0 115.112 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -84.82 -33.39 22.92 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.442 1.497 . . . . 0.0 110.396 176.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -108.54 144.62 35.96 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.53 1.132 . . . . 0.0 112.609 -170.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 21.2 t -110.97 111.32 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 127.66 2.384 . . . . 0.0 105.697 169.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -82.61 148.07 28.2 Favored 'General case' 0 C--O 1.232 0.171 0 O-C-N 121.558 -0.714 . . . . 0.0 109.182 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -45.47 -52.54 10.08 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.252 1.021 . . . . 0.0 112.974 -176.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -50.34 -51.67 43.62 Favored 'General case' 0 N--CA 1.457 -0.109 0 O-C-N 122.339 -0.226 . . . . 0.0 110.55 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -72.98 -27.95 62.11 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 119.195 -0.431 . . . . 0.0 111.833 -175.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.66 -49.77 75.39 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 167.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 19.6 mm -60.53 -51.79 68.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 O-C-N 122.009 -0.432 . . . . 0.0 110.629 177.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 10.5 m -48.59 -50.42 32.52 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.684 0.794 . . . . 0.0 110.264 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -60.69 -45.7 93.18 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 118.879 -0.582 . . . . 0.0 110.359 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 75.5 mt -57.35 -35.91 70.52 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.627 1.103 . . . . 0.0 110.918 174.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.99 -49.81 68.78 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 169.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.14 87.32 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 122.041 -0.682 . . . . 0.0 111.63 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 tp -58.06 -49.11 78.03 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.813 1.245 . . . . 0.0 109.081 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.96 -53.63 53.16 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.048 0.539 . . . . 0.0 109.776 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 48.5 ttp -54.32 -44.01 71.68 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.679 0.392 . . . . 0.0 111.353 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.59 -43.56 96.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 124.26 1.024 . . . . 0.0 109.898 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -54.36 -43.32 71.23 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.1 t30 69.22 -61.05 0.44 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 126.304 1.842 . . . . 0.0 113.917 167.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -51.32 -38.4 52.78 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.242 1.017 . . . . 0.0 109.691 175.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.12 -44.12 52.07 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.902 0.881 . . . . 0.0 112.064 172.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.24 -43.38 57.26 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.479 0.712 . . . . 0.0 109.785 -177.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -57.74 -43.02 85.09 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 175.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.251 0 CA-C-O 117.386 -1.786 . . . . 0.0 111.221 -178.944 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.2 mtt . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.29 -65.35 0.53 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.769 1.228 . . . . 0.0 111.53 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -57.71 16.89 Favored Pre-proline 0 N--CA 1.45 -0.444 0 CA-C-O 117.746 -1.121 . . . . 0.0 111.381 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -40.0 -51.75 3.01 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 124.092 3.194 . . . . 0.0 114.557 170.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.0 tp -64.61 -48.69 73.97 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 121.119 -0.988 . . . . 0.0 110.353 177.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -53.95 -47.33 71.4 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.896 0.478 . . . . 0.0 110.369 -177.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -63.63 -40.69 97.54 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.071 0.396 . . . . 0.0 111.068 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.54 -56.1 25.48 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.915 0.779 . . . . 0.0 111.738 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.3 pt -57.08 -42.79 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.61 -42.65 14.52 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 125.569 1.557 . . . . 0.0 112.907 170.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.85 -60.15 4.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.179 0.989 . . . . 0.0 109.248 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -51.36 -49.07 62.2 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.742 0.817 . . . . 0.0 110.029 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.4 mt -58.96 -50.93 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.982 -177.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.38 -53.8 42.87 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.1 mt -48.72 -51.64 11.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 123.079 0.552 . . . . 0.0 109.694 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -59.62 -53.1 61.94 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.262 0.553 . . . . 0.0 111.818 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -75.12 -22.8 57.96 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -169.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -58.09 -56.83 16.98 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.286 0.948 . . . . 0.0 108.802 169.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -64.18 -38.93 92.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.598 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.2 m -58.95 -53.59 56.69 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 173.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.02 -43.72 8.72 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 125.403 1.478 . . . . 0.0 112.502 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -48.15 -38.83 18.88 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.188 0.595 . . . . 0.0 112.169 175.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -114.49 36.26 3.86 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.726 1.61 . . . . 0.0 111.234 174.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.16 134.32 4.09 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.129 0.871 . . . . 0.0 111.762 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -74.82 62.07 1.06 Allowed 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.576 -0.955 . . . . 0.0 112.041 -175.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -99.06 147.88 24.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.521 1.528 . . . . 0.0 106.986 169.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -80.95 45.78 0.85 Allowed 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.554 -0.716 . . . . 0.0 111.417 -171.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.3 t -159.07 121.71 3.6 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.537 1.135 . . . . 0.0 109.097 -174.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.6 mt -91.53 146.85 23.46 Favored 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 123.782 0.833 . . . . 0.0 108.857 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.9 t -79.82 146.7 32.11 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 166.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -53.75 -39.73 65.57 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -169.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -34.72 69.3 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.374 -0.829 . . . . 0.0 111.06 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -62.73 -45.7 91.5 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 174.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.562 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.2 tm? -53.48 -45.53 69.64 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.892 169.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -55.74 -44.6 77.71 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 119.963 -1.711 . . . . 0.0 111.347 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -61.99 -33.73 74.86 Favored 'General case' 0 CA--C 1.535 0.365 0 O-C-N 121.998 -0.439 . . . . 0.0 111.324 176.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.55 -59.21 5.76 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.431 0.693 . . . . 0.0 110.193 169.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.518 HD11 HD11 ' A' ' 34' ' ' LEU . 72.8 mt -53.07 -48.26 53.37 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 CA-C-N 118.473 0.579 . . . . 0.0 110.268 -174.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -53.5 -38.51 63.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 119.504 -0.284 . . . . 0.0 111.561 -175.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -75.91 -59.92 2.54 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -43.84 -52.84 6.47 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.914 2.086 . . . . 0.0 112.033 -175.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.4 mt -100.8 16.43 25.1 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.018 0.927 . . . . 0.0 111.807 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 47.8 p 47.16 56.56 6.71 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.299 1.04 . . . . 0.0 111.563 173.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.7 tp -7.09 85.94 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 127.995 2.518 . . . . 0.0 114.657 -169.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.95 69.72 1.24 Allowed Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.942 0.782 . . . . 0.0 112.963 -171.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 m 92.87 121.55 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 128.37 2.668 . . . . 0.0 109.659 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -55.06 -30.53 59.8 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.28 0.632 . . . . 0.0 111.943 -178.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -52.04 -28.18 16.36 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.393 1.077 . . . . 0.0 112.221 175.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -69.9 -9.22 54.14 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 118.514 -0.755 . . . . 0.0 112.512 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -44.51 -46.35 9.74 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 119.801 1.182 . . . . 0.0 113.028 -177.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.1 -46.63 68.78 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.493 0.717 . . . . 0.0 111.131 175.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -66.28 -43.44 86.36 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.8 mm -53.47 -50.93 46.26 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 CA-C-O 118.737 -0.649 . . . . 0.0 109.581 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.266 18.5 m -68.49 -32.61 56.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 119.244 0.929 . . . . 0.0 112.79 -176.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -61.2 -50.32 73.61 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.612 1.096 . . . . 0.0 109.853 169.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.418 ' CD2' HD13 ' A' ' 38' ' ' ILE . 2.1 tt -58.58 -38.19 77.39 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.398 0.679 . . . . 0.0 111.357 177.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.7 ttp -60.34 -52.73 64.02 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 125.269 1.428 . . . . 0.0 109.157 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -50.64 -52.64 37.7 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -53.73 -52.16 61.02 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.652 0.381 . . . . 0.0 111.676 176.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mt -51.68 -56.27 14.68 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.61 0.764 . . . . 0.0 110.629 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -73.75 -25.62 60.26 Favored 'General case' 0 C--O 1.228 -0.054 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -172.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.7 ttm-85 -47.4 -44.02 24.03 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 123.691 0.797 . . . . 0.0 110.381 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -50.75 -29.34 11.19 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.699 1.2 . . . . 0.0 113.185 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -136.56 50.14 2.05 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 169.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 p30 57.05 -25.3 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 128.886 2.875 . . . . 0.0 118.692 168.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -170.23 -37.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 120.256 1.389 . . . . 0.0 110.967 -169.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -95.1 163.87 13.11 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 169.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.2 t -113.93 97.26 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 126.299 1.839 . . . . 0.0 106.586 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -78.7 144.09 35.62 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.67 0.272 . . . . 0.0 110.442 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -47.37 -54.39 11.34 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -169.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -54.54 -41.15 69.42 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.469 -0.769 . . . . 0.0 110.401 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -71.5 -36.74 71.21 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.914 0.886 . . . . 0.0 109.855 -176.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -54.5 -53.1 58.83 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.096 0.407 . . . . 0.0 109.918 169.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.7 mm -58.63 -48.88 84.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 O-C-N 122.248 -0.282 . . . . 0.0 110.282 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.9 m -50.68 -51.57 48.1 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.363 0.665 . . . . 0.0 110.338 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -59.62 -44.31 93.51 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.39 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.8 mt -57.91 -34.37 69.75 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.936 0.789 . . . . 0.0 111.314 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.26 -50.68 62.68 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 169.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.78 -42.77 80.03 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 122.163 -0.61 . . . . 0.0 110.862 174.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.59 -43.84 96.91 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.761 0.824 . . . . 0.0 110.19 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.428 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -58.36 -47.5 83.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.35 0.66 . . . . 0.0 110.453 173.068 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -41.41 75.25 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.742 -0.599 . . . . 0.0 110.534 175.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.93 -39.63 82.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 124.629 1.171 . . . . 0.0 111.561 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -51.6 -48.64 63.16 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 169.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 71.82 -59.19 0.56 Allowed 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 125.941 1.696 . . . . 0.0 113.785 167.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -50.35 -41.6 51.8 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.303 1.041 . . . . 0.0 110.364 176.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.75 -42.03 45.4 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.73 1.212 . . . . 0.0 112.092 174.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.89 -38.12 25.83 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 123.621 0.768 . . . . 0.0 109.966 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -56.38 -40.24 74.25 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.99 0.916 . . . . 0.0 110.45 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.277 0 CA-C-O 117.018 -1.99 . . . . 0.0 112.245 172.956 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.1 tpt . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.31 28.06 0.15 Allowed 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.816 0.846 . . . . 0.0 113.156 -170.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.72 -45.66 48.57 Favored Pre-proline 0 CA--C 1.535 0.387 0 C-N-CA 125.507 1.523 . . . . 0.0 114.072 -172.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -60.22 -40.95 55.13 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.259 1.973 . . . . 0.0 112.879 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 tp -80.32 -46.0 16.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.482 176.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -49.18 -45.91 44.78 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.687 0.795 . . . . 0.0 110.656 -175.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -60.15 -40.21 89.08 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.565 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.31 -55.13 13.17 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.873 -0.517 . . . . 0.0 110.747 -177.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 pt -58.49 -41.5 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.537 176.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.84 -44.96 25.03 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 125.165 1.364 . . . . 0.0 111.892 170.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.08 -60.16 4.01 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 117.846 0.823 . . . . 0.0 110.405 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -52.45 -46.16 66.36 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.615 0.766 . . . . 0.0 110.221 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.428 HD11 ' HB1' ' A' ' 81' ' ' ALA . 59.4 mt -60.13 -51.88 67.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.183 0.593 . . . . 0.0 110.076 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.94 -54.03 39.92 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 mt -49.53 -52.35 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -59.92 -63.5 1.28 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.351 0.596 . . . . 0.0 111.782 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -67.94 -20.89 65.11 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 119.113 -0.47 . . . . 0.0 112.175 -168.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -58.32 -52.6 64.91 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.797 0.726 . . . . 0.0 109.21 168.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -68.28 -33.76 74.94 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 118.911 -0.566 . . . . 0.0 111.24 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m -56.12 -61.55 2.31 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.27 168.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -43.72 -42.46 6.15 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 125.421 1.486 . . . . 0.0 112.481 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -48.98 -39.96 28.61 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -98.57 -48.62 4.92 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.985 0.914 . . . . 0.0 111.458 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -173.7 134.91 3.03 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 178.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -76.64 50.37 0.68 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.043 1.337 . . . . 0.0 113.042 -173.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -106.29 159.63 15.97 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 169.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -81.96 54.14 2.39 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 122.383 1.087 . . . . 0.0 110.884 -170.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.0 p -153.77 150.19 28.23 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 127.568 2.347 . . . . 0.0 106.672 -169.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -149.88 150.21 31.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 118.25 0.477 . . . . 0.0 110.444 168.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 87.1 p -78.37 160.98 27.5 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.124 0.488 . . . . 0.0 110.932 -169.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -59.17 -44.95 92.15 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -172.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -70.8 -33.33 70.62 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 120.938 -1.101 . . . . 0.0 110.357 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -62.28 -38.47 89.49 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.648 0.658 . . . . 0.0 109.915 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.495 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.2 tm? -57.97 -50.98 71.53 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 170.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -54.78 -42.41 71.71 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 119.24 -0.984 . . . . 0.0 110.678 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -57.97 -48.86 78.71 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.156 0.583 . . . . 0.0 110.645 175.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -50.16 -51.83 40.4 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 123.645 0.778 . . . . 0.0 109.428 174.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.9 mt -62.9 -59.38 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.101 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -56.03 -36.27 67.79 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 119.038 -0.506 . . . . 0.0 112.112 -175.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.36 -53.84 6.26 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 118.649 0.659 . . . . 0.0 110.603 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -79.15 -53.07 7.35 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 122.025 -0.422 . . . . 0.0 110.159 -171.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mp -85.89 67.84 10.15 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.6 61.71 0.1 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.829 1.652 . . . . 0.0 113.825 -168.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 pt -67.19 128.71 30.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 O-C-N 121.075 -1.015 . . . . 0.0 109.774 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.02 -28.63 66.24 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 173.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -73.76 65.15 0.99 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 126.153 1.781 . . . . 0.0 111.099 -176.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -58.32 -16.83 15.87 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.94 0.896 . . . . 0.0 113.153 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.435 HD22 ' H ' ' B' ' 48' ' ' LEU . 3.1 mm? -52.48 -28.0 18.57 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.386 0.675 . . . . 0.0 111.347 169.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -69.43 -6.34 29.63 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 176.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -45.35 -45.73 12.62 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 119.891 1.223 . . . . 0.0 113.003 -175.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.03 -47.5 65.0 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.714 0.806 . . . . 0.0 111.207 175.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -66.45 -41.85 88.47 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 35.0 mm -57.37 -46.05 85.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 118.473 -0.775 . . . . 0.0 110.671 175.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.276 14.1 m -68.24 -36.43 75.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 120.21 1.368 . . . . 0.0 112.259 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -56.87 -52.78 63.78 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.139 0.881 . . . . 0.0 110.05 171.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 tt -54.49 -44.86 73.02 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.412 1.085 . . . . 0.0 111.197 176.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -61.89 -41.72 98.22 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.88 0.872 . . . . 0.0 109.711 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -59.57 -48.9 79.87 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 173.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -54.27 -50.42 67.28 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.392 0.277 . . . . 0.0 111.187 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mt -56.26 -58.02 9.75 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 122.982 0.513 . . . . 0.0 110.179 174.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -64.69 -24.8 67.69 Favored 'General case' 0 N--CA 1.461 0.12 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -172.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -46.99 -32.31 3.81 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.122 0.969 . . . . 0.0 110.767 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -35.82 -53.66 0.73 Allowed 'General case' 0 C--N 1.34 0.176 0 C-N-CA 125.069 1.348 . . . . 0.0 112.986 168.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -154.92 55.0 0.66 Allowed 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -173.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 p30 44.78 -79.01 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.733 2.413 . . . . 0.0 115.036 174.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -78.35 -20.85 50.46 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.455 1.502 . . . . 0.0 111.764 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -144.04 163.13 34.41 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 -170.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 5.6 t -111.31 129.93 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 127.053 2.141 . . . . 0.0 106.576 174.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -90.18 148.54 22.89 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 169.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -40.97 -53.86 2.87 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.668 1.187 . . . . 0.0 114.122 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -63.33 -40.48 97.45 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 121.352 -0.843 . . . . 0.0 110.172 -172.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -70.14 -39.1 75.58 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -50.75 -51.23 52.19 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.569 0.622 . . . . 0.0 110.597 170.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 23.7 mm -58.22 -51.89 65.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 118.519 0.599 . . . . 0.0 110.307 176.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 44.3 m -48.16 -51.37 25.3 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.803 0.811 . . . . 0.0 110.428 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -63.11 -43.7 97.71 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 123.633 0.773 . . . . 0.0 110.361 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.0 mt -57.55 -34.81 69.55 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.945 1.248 . . . . 0.0 110.73 173.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.68 -50.5 64.87 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 169.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.09 -46.05 79.2 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 122.173 -0.604 . . . . 0.0 111.113 174.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.56 -48.34 74.91 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 125.265 1.426 . . . . 0.0 109.609 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.91 -53.84 50.28 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.244 0.618 . . . . 0.0 109.856 174.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 14.6 ttt -60.77 -34.12 73.99 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 122.057 -0.402 . . . . 0.0 112.022 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 62.5 mt -72.33 -42.74 65.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 125.492 1.517 . . . . 0.0 110.354 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -52.65 -47.8 66.85 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 170.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 71.46 -59.34 0.55 Allowed 'General case' 0 C--O 1.227 -0.086 0 C-N-CA 125.915 1.686 . . . . 0.0 113.79 167.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -48.67 -46.94 40.91 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.241 1.017 . . . . 0.0 109.597 176.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.23 -41.17 1.26 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.997 1.719 . . . . 0.0 113.145 173.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.87 -30.72 62.79 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.53 0.732 . . . . 0.0 110.693 -176.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -77.65 -44.57 27.71 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 174.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 116.85 -2.083 . . . . 0.0 111.186 177.412 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 121.054 0.454 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 71.62 -62.08 0.47 Allowed 'General case' 0 C--O 1.233 0.194 0 C-N-CA 128.417 2.687 . . . . 0.0 111.271 172.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -37.99 -48.22 2.92 Favored Pre-proline 0 N--CA 1.447 -0.585 0 C-N-CA 128.751 2.82 . . . . 0.0 113.742 -172.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.07 -46.93 22.51 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 121.447 1.431 . . . . 0.0 112.897 -178.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.7 tp -80.49 -44.71 18.72 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 118.513 0.597 . . . . 0.0 109.491 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.68 -43.66 62.8 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.849 0.859 . . . . 0.0 110.961 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -61.27 -38.35 86.41 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.137 0.881 . . . . 0.0 110.872 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.94 -52.86 12.95 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 117.745 0.248 . . . . 0.0 110.342 -173.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.7 pt -57.61 -43.26 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 173.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.27 -44.05 20.01 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 125.092 1.329 . . . . 0.0 112.462 170.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -60.89 3.11 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.094 0.958 . . . . 0.0 109.83 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -51.14 -46.81 62.08 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.415 0.686 . . . . 0.0 110.034 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.54 -54.32 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 C-N-CA 123.603 0.761 . . . . 0.0 110.118 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.53 -49.85 66.76 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.291 -1.124 . . . . 0.0 110.291 -178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 mt -51.96 -53.2 18.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 175.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -58.06 -63.61 1.2 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.455 0.645 . . . . 0.0 111.196 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.61 -24.32 65.46 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -167.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -42.97 82.22 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 118.561 -1.256 . . . . 0.0 110.039 171.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -70.09 -39.25 75.66 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.491 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.9 p -60.99 -56.75 17.46 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 118.584 -1.246 . . . . 0.0 108.141 169.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -29.22 -54.41 0.16 Allowed Glycine 0 CA--C 1.526 0.767 0 C-N-CA 126.945 2.212 . . . . 0.0 113.431 172.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -45.76 -42.66 12.28 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.875 1.27 . . . . 0.0 113.231 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -100.74 -25.37 14.16 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.392 1.077 . . . . 0.0 112.479 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.98 119.18 0.47 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 109.092 -1.603 . . . . 0.0 109.092 -174.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -69.98 74.63 0.47 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.043 0.937 . . . . 0.0 111.537 -175.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -124.68 163.64 21.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.883 1.673 . . . . 0.0 108.691 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -76.34 38.17 0.18 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.245 0.618 . . . . 0.0 111.329 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.7 p -151.27 132.5 14.49 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 125.06 1.344 . . . . 0.0 109.897 -170.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 mp -108.59 143.88 37.04 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 167.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.1 p -77.31 155.03 32.29 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -54.15 -40.01 67.04 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -171.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -79.94 -29.65 39.75 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.297 -0.877 . . . . 0.0 111.529 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -61.72 -41.93 98.27 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.181 -0.949 . . . . 0.0 108.95 170.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.5 tm? -55.04 -50.44 69.07 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.733 0.413 . . . . 0.0 110.015 171.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -51.02 -48.62 61.4 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.259 -0.9 . . . . 0.0 111.026 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -54.76 -47.24 74.13 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 122.369 0.267 . . . . 0.0 111.283 177.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 tt -52.24 -53.35 44.78 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 123.725 0.81 . . . . 0.0 109.848 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.9 mt -62.7 -49.83 82.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -177.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -38.9 69.8 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.512 -176.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -74.54 -59.48 2.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.917 0.781 . . . . 0.0 110.489 172.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -60.45 -54.92 39.8 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 123.042 0.537 . . . . 0.0 112.426 -169.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.4 mt -82.34 -22.35 35.58 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.092 0.405 . . . . 0.0 110.968 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m 61.93 60.05 1.61 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.262 0.553 . . . . 0.0 111.014 169.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.2 pt -73.11 65.95 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 123.919 0.888 . . . . 0.0 112.284 -175.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.82 -29.52 34.08 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 124.89 1.233 . . . . 0.0 113.871 -177.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 p -70.26 -22.4 62.88 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.585 1.154 . . . . 0.0 112.666 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 mttp 73.14 -47.41 0.67 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.336 1.854 . . . . 0.0 114.221 172.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.68 -18.26 7.61 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.621 1.169 . . . . 0.0 112.703 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -57.08 -22.83 42.38 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.492 -0.755 . . . . 0.0 111.861 171.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -42.66 -45.18 4.58 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 125.249 1.42 . . . . 0.0 113.002 -177.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.97 -45.16 74.94 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.204 0.602 . . . . 0.0 111.283 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.05 -47.8 78.76 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 176.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 mm -54.21 -43.76 62.0 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.622 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.284 9.2 m -68.01 -37.82 78.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 120.471 1.487 . . . . 0.0 112.563 -178.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.74 -51.54 69.34 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.053 0.842 . . . . 0.0 109.854 172.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -55.97 -42.99 77.11 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.108 0.963 . . . . 0.0 111.333 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -61.65 -43.28 99.15 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.306 1.443 . . . . 0.0 109.474 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.01 -48.65 80.81 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.361 0.528 . . . . 0.0 109.59 174.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -54.83 -50.52 68.42 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 122.208 -0.308 . . . . 0.0 111.323 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -57.37 -57.19 13.74 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.407 0.683 . . . . 0.0 110.777 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -67.42 -22.2 65.53 Favored 'General case' 0 N--CA 1.457 -0.083 0 CA-C-O 118.221 -0.895 . . . . 0.0 112.862 -172.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -38.99 -37.84 0.4 Allowed 'General case' 0 C--N 1.344 0.331 0 C-N-CA 125.371 1.468 . . . . 0.0 110.812 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -23.06 -62.04 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.478 1.911 . . . . 0.0 113.28 165.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -147.17 24.69 1.14 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.653 1.181 . . . . 0.0 111.614 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.313 0.1 OUTLIER 63.91 -53.32 0.24 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 128.411 2.684 . . . . 0.0 115.1 -179.063 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -78.9 -40.35 32.49 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 121.301 -0.875 . . . . 0.0 110.559 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.69 152.3 51.74 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.412 1.085 . . . . 0.0 111.846 -173.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.1 p -103.07 130.23 53.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 125.252 1.421 . . . . 0.0 108.295 169.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.83 152.98 21.43 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.799 0.44 . . . . 0.0 110.117 176.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -42.76 -52.73 4.87 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.375 1.47 . . . . 0.0 113.838 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -60.11 -41.36 92.4 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 121.33 -0.856 . . . . 0.0 111.038 -176.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -72.61 -37.84 67.97 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -53.51 -54.06 42.65 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.613 0.642 . . . . 0.0 110.379 171.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 18.5 mm -56.1 -53.11 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.7 m -52.7 -47.68 67.09 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.143 0.497 . . . . 0.0 111.17 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -63.6 -43.16 97.73 Favored 'General case' 0 N--CA 1.446 -0.64 0 O-C-N 121.304 -0.873 . . . . 0.0 110.662 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.5 mt -57.72 -36.52 72.12 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.432 -0.793 . . . . 0.0 110.155 171.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.51 -42.53 95.99 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 121.949 -0.469 . . . . 0.0 112.168 169.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.67 -48.18 80.43 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 120.984 -1.304 . . . . 0.0 109.947 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.0 tp -53.32 -49.4 67.13 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.704 1.202 . . . . 0.0 109.746 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.453 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -58.57 -47.18 85.12 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.14 0.976 . . . . 0.0 110.994 177.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 55.3 ttp -62.83 -40.32 97.05 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.406 0.282 . . . . 0.0 110.78 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.0 mt -58.0 -48.73 83.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 172.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -71.51 41.78 0.07 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.821 0.849 . . . . 0.0 112.288 171.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -44.93 -32.33 1.58 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 127.132 2.173 . . . . 0.0 112.793 177.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.1 mp0 -47.88 -41.1 23.5 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.989 0.916 . . . . 0.0 110.506 175.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.03 -37.14 83.82 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.371 0.668 . . . . 0.0 111.746 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 35.1 mt -66.62 -50.71 62.1 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 172.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -52.84 -44.23 66.59 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.256 -0.277 . . . . 0.0 111.415 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.177 0 CA-C-O 117.329 -1.817 . . . . 0.0 110.635 174.863 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 61.9 mtt . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.87 -55.35 0.43 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 129.731 3.213 . . . . 0.0 112.169 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -39.22 -47.86 4.23 Favored Pre-proline 0 N--CA 1.448 -0.572 0 C-N-CA 128.543 2.737 . . . . 0.0 113.623 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.35 -55.16 3.33 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 121.979 1.786 . . . . 0.0 111.956 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 42.3 tp -68.63 -44.41 74.26 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.173 -0.955 . . . . 0.0 110.28 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -52.62 -48.34 66.4 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 122.733 0.413 . . . . 0.0 111.089 -175.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -60.23 -38.98 85.06 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.182 0.446 . . . . 0.0 110.616 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.06 -53.05 22.41 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 122.149 0.18 . . . . 0.0 111.039 -176.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 28.8 pt -57.21 -44.16 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 119.806 -0.758 . . . . 0.0 109.001 175.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.41 -45.38 22.28 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.903 1.24 . . . . 0.0 112.417 171.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.4 -60.22 4.13 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.177 0.991 . . . . 0.0 109.889 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mp -51.48 -47.57 63.13 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 123.256 0.623 . . . . 0.0 110.302 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.453 HD11 ' HB1' ' A' ' 81' ' ' ALA . 64.2 mt -60.44 -54.19 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 124.288 1.035 . . . . 0.0 110.05 -178.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.98 -50.06 63.57 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 124.701 1.143 . . . . 0.0 110.532 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -52.66 -58.04 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -53.21 -58.36 7.33 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.086 0.469 . . . . 0.0 111.229 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -26.42 60.69 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 119.851 -0.74 . . . . 0.0 112.218 -169.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -66.04 -42.14 89.97 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 118.865 -1.134 . . . . 0.0 109.277 173.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -63.09 -51.47 66.47 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.07 175.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 97.1 p -56.99 -44.56 82.86 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 120.046 1.294 . . . . 0.0 109.904 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -35.1 -36.09 0.08 OUTLIER Glycine 0 CA--C 1.532 1.116 0 C-N-CA 126.582 2.039 . . . . 0.0 114.688 169.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -50.38 -47.79 56.08 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.599 1.199 . . . . 0.0 111.458 176.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -96.02 -39.48 9.73 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.594 0.758 . . . . 0.0 110.37 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.01 141.74 3.96 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 108.299 -1.92 . . . . 0.0 108.299 176.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -75.44 64.9 1.63 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 117.926 0.863 . . . . 0.0 110.773 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -105.35 158.27 16.75 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.263 1.425 . . . . 0.0 108.747 173.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -79.82 36.65 0.34 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.225 0.61 . . . . 0.0 111.658 -176.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 53.2 p -140.64 143.26 35.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.077 1.351 . . . . 0.0 108.984 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 71.0 mt -108.1 144.52 35.36 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 169.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.0 p -83.34 177.19 8.61 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.131 0.878 . . . . 0.0 110.557 170.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -64.92 -65.96 0.61 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.815 0.846 . . . . 0.0 111.772 -169.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.44 -29.5 70.56 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.727 -0.608 . . . . 0.0 110.436 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.19 -46.85 85.11 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.226 0.61 . . . . 0.0 111.002 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.56 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.6 tm? -55.07 -48.52 73.39 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 169.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -55.89 -41.61 74.74 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.499 -0.751 . . . . 0.0 110.972 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -56.11 -54.85 40.09 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.877 1.271 . . . . 0.0 110.067 173.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 tt -44.96 -55.45 5.49 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 124.276 1.03 . . . . 0.0 110.304 174.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.88 -51.91 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-O 119.336 -0.364 . . . . 0.0 110.428 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -37.61 81.6 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 118.413 0.551 . . . . 0.0 110.821 -174.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -55.12 6.26 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -74.21 -52.51 12.2 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.86 -0.525 . . . . 0.0 110.531 -171.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 22.4 mt -90.35 67.34 6.68 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.15 76.22 0.24 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.66 0.784 . . . . 0.0 111.895 -174.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 5.4 mt -56.76 -42.04 76.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 123.657 0.783 . . . . 0.0 110.431 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.93 -66.54 1.78 Allowed Glycine 0 CA--C 1.527 0.804 0 N-CA-C 109.198 -1.561 . . . . 0.0 109.198 -171.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 17.6 m -72.75 64.78 0.67 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.538 1.135 . . . . 0.0 110.33 174.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -77.18 51.2 0.81 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.801 1.241 . . . . 0.0 111.587 -174.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 75.4 mt -69.35 -36.51 76.96 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.554 0.741 . . . . 0.0 109.785 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -74.64 30.16 0.09 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.599 1.16 . . . . 0.0 112.497 -175.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -54.55 -46.24 73.61 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.987 0.915 . . . . 0.0 111.177 -172.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.05 -46.46 53.12 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.522 0.729 . . . . 0.0 111.04 174.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -66.21 -42.25 89.02 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 44.0 mm -56.14 -49.72 74.45 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 CA-C-O 118.986 -0.53 . . . . 0.0 110.161 175.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 19.4 m -69.92 -32.71 52.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 119.492 1.042 . . . . 0.0 112.373 -177.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -60.49 -51.22 70.4 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.165 0.893 . . . . 0.0 109.803 170.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tt -54.49 -45.46 73.24 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.979 0.912 . . . . 0.0 110.889 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 56.6 ttp -57.6 -55.48 34.33 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.765 1.226 . . . . 0.0 109.066 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -48.68 -53.42 18.83 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.718 0.807 . . . . 0.0 109.9 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -55.57 -51.32 67.51 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.831 0.452 . . . . 0.0 110.981 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.408 HD21 ' CD2' ' B' ' 76' ' ' PHE . 9.8 mt -53.69 -54.17 41.63 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.864 0.466 . . . . 0.0 111.041 176.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -76.86 -30.91 56.47 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -169.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -74.98 -12.36 60.32 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 122.122 -0.361 . . . . 0.0 110.797 -176.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.71 -27.78 63.25 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.254 0.622 . . . . 0.0 110.901 174.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -133.11 -142.38 0.21 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.429 0.692 . . . . 0.0 109.431 170.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -77.32 46.72 0.52 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.28 1.432 . . . . 0.0 113.388 -168.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 63.33 28.43 15.63 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.174 0.99 . . . . 0.0 109.807 -173.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -139.3 140.54 37.63 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 4.1 t -79.51 109.28 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -78.05 144.83 36.27 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 119.009 0.822 . . . . 0.0 109.383 173.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -40.97 -51.89 3.18 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.737 1.215 . . . . 0.0 113.033 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -59.67 -46.07 90.15 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.6 0.714 . . . . 0.0 110.215 -175.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -69.01 -35.84 77.13 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.54 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -54.63 -53.01 60.3 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.804 0.442 . . . . 0.0 110.064 170.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 30.3 mm -57.49 -55.54 20.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 118.733 0.697 . . . . 0.0 110.219 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 53.5 m -48.73 -50.44 33.68 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.981 -0.449 . . . . 0.0 111.3 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.408 ' CD2' HD21 ' B' ' 60' ' ' LEU . 65.2 t80 -62.31 -42.72 99.61 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 123.066 0.546 . . . . 0.0 110.838 -179.086 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 79.8 mt -57.59 -36.97 72.44 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.517 1.053 . . . . 0.0 109.854 173.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.57 -50.18 64.71 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 168.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.13 -47.31 75.25 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.663 -0.904 . . . . 0.0 111.01 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.2 tp -56.03 -47.67 77.43 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.781 1.232 . . . . 0.0 109.976 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.02 -49.36 73.91 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.75 0.82 . . . . 0.0 110.647 174.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 14.8 tpt -57.72 -42.98 84.94 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.439 0.696 . . . . 0.0 111.59 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.71 -48.02 90.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 124.26 1.024 . . . . 0.0 109.557 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -54.38 -50.63 67.05 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 69.88 -52.73 0.63 Allowed 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 126.397 1.879 . . . . 0.0 114.791 168.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -49.25 -42.07 39.62 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 124.098 0.959 . . . . 0.0 109.6 169.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.48 -43.2 62.1 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.549 0.74 . . . . 0.0 111.676 172.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 17.4 mt -69.02 -57.05 5.97 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -59.07 -39.92 83.62 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.323 0.249 . . . . 0.0 111.634 -173.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 117.43 -1.761 . . . . 0.0 109.955 177.22 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 mmt . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 121.256 0.55 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.33 -53.09 32.72 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.958 -0.464 . . . . 0.0 110.408 -172.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.8 -57.25 6.11 Favored Pre-proline 0 N--CA 1.451 -0.422 0 C-N-CA 125.563 1.545 . . . . 0.0 111.829 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -39.48 -51.83 2.65 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 124.26 3.307 . . . . 0.0 115.489 171.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -72.03 -48.52 43.93 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 118.79 -1.164 . . . . 0.0 109.85 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -52.36 -46.01 65.96 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.856 0.462 . . . . 0.0 111.101 -176.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -64.89 -37.69 88.49 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 122.05 -0.406 . . . . 0.0 111.115 178.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.16 -54.53 28.29 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.866 -0.521 . . . . 0.0 111.012 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.8 pt -57.02 -43.06 80.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.2 -47.02 10.7 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 125.326 1.441 . . . . 0.0 112.601 170.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.67 -59.86 4.4 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.13 0.965 . . . . 0.0 109.861 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -52.23 -47.15 65.85 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.363 0.665 . . . . 0.0 110.237 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.4 mt -62.75 -51.16 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 122.783 0.433 . . . . 0.0 110.115 -177.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.06 -52.31 50.02 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.9 mt -52.92 -54.18 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -53.15 -63.85 1.01 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.94 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -71.89 -22.14 61.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 118.824 -0.608 . . . . 0.0 112.523 -169.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -59.8 -55.72 30.74 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 169.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -63.07 -36.31 83.17 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 119.06 -0.495 . . . . 0.0 111.442 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.4 m -57.94 -59.12 5.74 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 119.271 0.941 . . . . 0.0 109.944 170.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.33 -42.45 9.3 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 125.687 1.613 . . . . 0.0 111.93 -177.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -47.06 -41.08 16.31 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.978 0.911 . . . . 0.0 112.771 175.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -98.25 -35.83 10.22 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.844 0.857 . . . . 0.0 112.213 177.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.57 153.37 14.04 Favored Glycine 0 CA--C 1.529 0.937 0 CA-C-N 118.911 0.778 . . . . 0.0 111.454 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -75.08 73.12 2.23 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.493 0.717 . . . . 0.0 109.693 177.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -141.88 144.01 33.61 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.611 1.164 . . . . 0.0 108.962 -175.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -80.52 52.38 1.64 Allowed 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.321 -0.862 . . . . 0.0 111.047 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.6 p -143.63 158.17 43.87 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.37 1.068 . . . . 0.0 109.257 175.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.7 mt -123.25 130.9 53.37 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 124.429 1.092 . . . . 0.0 108.201 169.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.8 t -81.88 170.21 15.92 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.447 0.641 . . . . 0.0 110.611 169.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -58.11 9.28 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.211 1.404 . . . . 0.0 113.207 -169.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.6 -30.24 65.58 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.846 -0.534 . . . . 0.0 110.3 -176.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -63.16 -46.48 86.97 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.752 -0.592 . . . . 0.0 109.499 174.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.476 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.3 tm? -55.8 -48.75 74.85 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 172.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -53.31 -46.8 69.55 Favored 'General case' 0 C--O 1.224 -0.276 0 O-C-N 121.189 -0.944 . . . . 0.0 110.223 175.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.55 -46.09 80.87 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.807 0.731 . . . . 0.0 110.923 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 tt -51.36 -53.35 37.27 Favored 'General case' 0 CA--C 1.522 -0.111 0 C-N-CA 123.61 0.764 . . . . 0.0 109.711 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.2 mt -62.93 -52.31 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.42 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -52.64 -39.14 61.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.517 0.727 . . . . 0.0 111.098 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tpmt? -72.58 -60.47 2.22 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.791 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -68.79 -58.66 3.88 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.664 0.386 . . . . 0.0 110.757 -169.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -89.94 75.63 7.18 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.16 70.44 0.15 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.108 1.363 . . . . 0.0 112.397 -170.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.3 pt -69.47 80.47 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 124.453 1.101 . . . . 0.0 111.749 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.46 -31.83 14.51 Favored Glycine 0 CA--C 1.533 1.2 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 168.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 p -68.76 64.73 0.12 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.45 1.9 . . . . 0.0 109.61 168.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -48.08 -34.22 9.33 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 126.098 1.759 . . . . 0.0 113.829 -169.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.415 ' H ' HD22 ' A' ' 48' ' ' LEU . 3.2 mm? -49.21 -37.17 21.97 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.209 1.004 . . . . 0.0 111.399 177.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -58.49 -14.86 8.87 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -46.35 -36.43 6.36 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.345 0.975 . . . . 0.0 111.625 169.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.21 -45.24 79.96 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.925 0.393 . . . . 0.0 111.44 173.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -63.86 -45.49 89.25 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 174.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 mm -55.13 -42.81 67.27 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.297 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.9 m -65.9 -39.7 85.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 120.492 1.496 . . . . 0.0 112.497 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -59.51 -51.83 68.17 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.843 0.747 . . . . 0.0 109.693 173.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 tt -53.67 -43.87 69.2 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.974 0.91 . . . . 0.0 111.299 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -63.11 -42.89 99.64 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.452 1.101 . . . . 0.0 109.419 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.25 -48.09 81.51 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 172.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -59.72 -36.46 76.6 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 122.025 -0.422 . . . . 0.0 111.922 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mt -65.56 -62.43 1.52 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.536 0.734 . . . . 0.0 109.948 170.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -60.75 -24.21 65.54 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 123.812 0.845 . . . . 0.0 113.226 -172.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.4 ttp-105 -27.17 -50.71 0.05 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 127.439 2.295 . . . . 0.0 111.278 168.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -38.0 -53.53 1.36 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.566 1.546 . . . . 0.0 113.65 176.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? -149.41 49.07 0.96 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.274 0.63 . . . . 0.0 109.466 -174.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 p30 46.92 -78.49 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.618 2.367 . . . . 0.0 114.552 171.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -66.22 -31.79 72.82 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 125.567 1.547 . . . . 0.0 111.388 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -141.66 164.99 28.71 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -172.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.8 p -116.73 139.79 42.03 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 125.523 1.529 . . . . 0.0 107.493 168.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -92.86 153.54 18.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.043 0.937 . . . . 0.0 109.956 175.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -39.47 -53.51 2.04 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.885 1.674 . . . . 0.0 113.655 177.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -58.38 -46.57 86.1 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.511 -0.743 . . . . 0.0 110.228 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -72.36 -31.96 66.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.421 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -56.35 -50.61 71.02 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 168.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.9 mm -57.78 -54.45 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-N 118.578 0.626 . . . . 0.0 110.23 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.4 m -49.71 -49.07 49.24 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.578 0.627 . . . . 0.0 111.191 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -61.08 -45.41 94.84 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 122.564 0.346 . . . . 0.0 110.443 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.48 -34.72 71.2 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.77 0.714 . . . . 0.0 110.515 173.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.31 -51.69 57.08 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 169.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.31 -46.36 72.79 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.875 -0.779 . . . . 0.0 110.38 175.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 tp -60.69 -42.48 97.24 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.635 0.774 . . . . 0.0 110.659 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.478 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -59.44 -39.57 83.97 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 121.654 -0.653 . . . . 0.0 110.821 174.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -61.48 -50.33 73.16 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 122.068 -0.395 . . . . 0.0 109.978 170.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.9 mm -52.39 -41.59 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 124.154 0.981 . . . . 0.0 110.987 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.1 m-30 -51.1 -37.05 43.63 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.025 0.375 . . . . 0.0 111.022 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 35.5 t30 68.84 -64.58 0.32 Allowed 'General case' 0 C--N 1.34 0.174 0 C-N-CA 127.259 2.224 . . . . 0.0 112.442 172.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -49.29 -41.21 37.41 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.096 1.358 . . . . 0.0 110.387 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.71 -37.34 65.74 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.905 0.882 . . . . 0.0 112.266 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 83.2 mt -83.61 -54.09 5.19 Favored 'General case' 0 C--N 1.339 0.111 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 175.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -61.25 -38.17 85.71 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.065 0.546 . . . . 0.0 112.019 -169.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.13 0 CA-C-O 117.124 -1.931 . . . . 0.0 111.644 -179.022 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.42 -62.21 0.38 Allowed 'General case' 0 C--O 1.232 0.17 0 C-N-CA 129.622 3.169 . . . . 0.0 110.927 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.73 -50.17 5.46 Favored Pre-proline 0 N--CA 1.449 -0.518 0 C-N-CA 128.32 2.648 . . . . 0.0 113.157 177.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -59.42 -41.04 61.67 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 121.604 1.536 . . . . 0.0 114.47 -171.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 66.0 tp -81.02 -45.45 16.55 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.157 0.435 . . . . 0.0 110.276 171.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -52.46 -41.93 63.74 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 119.301 -0.38 . . . . 0.0 111.501 -175.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -58.11 -40.99 82.59 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.534 0.606 . . . . 0.0 110.888 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.94 -53.2 15.85 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 121.882 -0.511 . . . . 0.0 110.503 -174.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 35.5 pt -57.69 -42.26 81.22 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.109 173.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.58 -43.59 15.6 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 125.42 1.486 . . . . 0.0 112.44 170.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -59.52 5.21 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 118.159 0.979 . . . . 0.0 109.842 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -51.66 -47.14 63.89 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 123.125 0.57 . . . . 0.0 110.394 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.478 HD11 ' HB1' ' A' ' 81' ' ' ALA . 53.8 mt -61.68 -51.97 66.41 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.41 -53.23 39.52 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 9.0 mt -49.94 -60.86 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 175.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -51.43 -51.02 58.41 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.029 0.442 . . . . 0.0 111.65 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -72.44 -28.86 63.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.472 -170.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -62.51 -55.74 24.61 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 169.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -61.86 -44.63 96.43 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -174.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.9 p -67.85 -46.51 71.54 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.3 -0.875 . . . . 0.0 109.722 174.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.87 -43.15 8.18 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 124.34 0.971 . . . . 0.0 112.229 174.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.94 -44.57 40.75 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.652 0.781 . . . . 0.0 112.288 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -93.26 -19.09 21.74 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.607 0.763 . . . . 0.0 111.213 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.68 37.93 95.05 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.238 0.923 . . . . 0.0 112.161 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -85.99 -61.97 1.63 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.062 0.945 . . . . 0.0 110.722 -177.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 6.6 tptm -174.66 -163.06 0.13 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -76.86 51.82 0.81 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.744 0.783 . . . . 0.0 109.906 171.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 15.9 p -144.52 136.98 26.53 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 126.978 2.111 . . . . 0.0 106.789 -169.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 65.5 mt -99.58 152.0 20.53 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 168.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 87.6 p -88.49 159.9 17.75 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 166.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -48.51 -48.05 38.52 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.297 1.039 . . . . 0.0 113.167 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -78.69 -31.57 46.66 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.698 -0.626 . . . . 0.0 110.909 -177.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -61.07 -42.15 97.96 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.429 -0.794 . . . . 0.0 109.583 171.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.552 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.7 tm? -56.85 -50.09 73.5 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 172.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -53.11 -44.92 68.01 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.236 0.926 . . . . 0.0 110.799 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -55.42 -50.69 69.14 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 117.883 0.31 . . . . 0.0 110.297 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tt -49.68 -53.77 22.57 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 124.075 0.95 . . . . 0.0 110.5 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 44.9 mt -61.78 -55.21 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 O-C-N 121.965 -0.459 . . . . 0.0 110.436 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -58.1 -39.9 79.82 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.62 0.646 . . . . 0.0 110.957 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -81.12 -37.57 28.66 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -174.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -81.27 -68.2 0.71 Allowed 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.777 0.798 . . . . 0.0 109.569 172.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.2 mt -85.25 61.63 6.99 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.816 1.246 . . . . 0.0 108.774 -173.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 7.3 m -70.24 73.15 0.47 Allowed 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.577 1.151 . . . . 0.0 112.407 -173.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.55 131.04 19.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 169.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.47 -50.77 53.45 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 -178.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.1 t -74.51 76.48 1.96 Allowed 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -62.61 -5.9 3.05 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 81.9 mt -55.22 -32.95 62.68 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.419 -0.8 . . . . 0.0 109.308 166.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -58.43 -7.64 0.96 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.23 1.012 . . . . 0.0 113.045 172.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -51.51 -29.15 15.64 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 120.059 1.3 . . . . 0.0 111.443 172.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.69 -48.69 69.26 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.327 0.512 . . . . 0.0 111.47 169.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.32 -45.47 93.07 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 27.7 mm -55.92 -40.29 61.77 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.305 0 CA-C-O 117.972 -1.013 . . . . 0.0 111.31 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.254 8.5 m -68.04 -37.71 78.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 120.735 1.607 . . . . 0.0 112.41 177.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -59.81 -52.29 66.1 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.111 0.869 . . . . 0.0 109.546 173.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.19 -44.03 71.23 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.153 0.581 . . . . 0.0 111.048 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -62.83 -40.89 98.79 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.196 0.998 . . . . 0.0 109.547 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -58.29 -48.73 79.57 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 173.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -62.22 -32.44 73.1 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mt -66.54 -71.32 0.2 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 168.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . 0.268 5.1 p-10 -55.35 -25.62 36.05 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 125.173 1.389 . . . . 0.0 113.983 -169.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 51.7 ttp85 -37.14 -47.13 0.75 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.197 1.399 . . . . 0.0 111.217 169.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.497 HD21 ' HA ' ' B' ' 68' ' ' VAL . 0.5 OUTLIER -43.92 -37.34 2.83 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 178.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -150.55 55.23 0.91 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.798 1.239 . . . . 0.0 107.853 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.267 4.7 p-10 50.56 -68.03 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 128.215 2.606 . . . . 0.0 115.996 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -125.7 -4.28 7.1 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.242 1.817 . . . . 0.0 111.681 -173.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -118.98 159.75 23.27 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.563 1.145 . . . . 0.0 108.887 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.497 ' HA ' HD21 ' B' ' 63' ' ' ASN . 3.6 t -118.27 108.64 24.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 125.172 1.389 . . . . 0.0 108.563 171.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -79.9 143.86 33.9 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.36 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -39.76 -60.4 1.0 Allowed 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -171.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -58.11 -35.66 71.77 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.278 -0.888 . . . . 0.0 111.28 -177.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -76.28 -36.07 58.58 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -55.74 -52.55 63.54 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 168.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 26.8 mm -55.61 -53.24 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 93.2 m -51.37 -48.8 62.39 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.88 0.472 . . . . 0.0 111.136 178.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -62.58 -41.92 99.24 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.988 -0.53 . . . . 0.0 110.51 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 71.2 mt -57.53 -34.23 68.92 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.68 1.127 . . . . 0.0 110.466 173.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.11 -52.08 54.57 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 168.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.35 -39.53 67.19 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.433 -1.039 . . . . 0.0 111.507 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 14.0 tp -65.58 -42.53 91.62 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.999 0.92 . . . . 0.0 110.015 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.38 -45.38 80.57 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.117 0.567 . . . . 0.0 110.169 170.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 33.9 ttp -64.08 -32.74 74.41 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.638 -0.664 . . . . 0.0 112.329 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 65.2 mt -71.25 -41.53 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 124.146 0.978 . . . . 0.0 110.625 174.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 5.6 m-30 -53.28 -46.17 69.19 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 169.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 72.58 -61.01 0.51 Allowed 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 126.511 1.925 . . . . 0.0 113.369 167.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -50.7 -43.3 57.71 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.654 0.782 . . . . 0.0 109.558 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.04 -45.75 16.22 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.939 0.896 . . . . 0.0 111.927 173.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 11.1 mt -66.82 -25.59 66.51 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-O 119.187 -0.435 . . . . 0.0 111.719 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -75.11 -53.84 8.16 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 174.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 117.314 -1.825 . . . . 0.0 110.179 173.193 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.37 -62.34 0.27 Allowed 'General case' 0 C--O 1.233 0.218 0 C-N-CA 129.664 3.186 . . . . 0.0 111.169 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 p -39.57 -44.39 3.36 Favored Pre-proline 0 CA--C 1.539 0.545 0 C-N-CA 127.667 2.387 . . . . 0.0 114.288 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -59.61 -43.01 42.07 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 121.852 1.701 . . . . 0.0 112.582 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -80.01 -44.49 20.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -50.22 -46.15 54.4 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.338 0.655 . . . . 0.0 110.591 -176.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -63.12 -34.45 77.64 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.872 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.59 -50.66 23.89 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.66 -0.65 . . . . 0.0 110.868 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.7 pt -59.02 -40.21 80.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 119.769 -0.773 . . . . 0.0 109.273 172.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.52 -45.96 37.4 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 125.017 1.294 . . . . 0.0 112.25 170.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -61.56 2.43 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.242 1.021 . . . . 0.0 109.63 178.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.47 ' CD2' HD13 ' A' ' 77' ' ' LEU . 7.4 mt -48.69 -48.85 39.79 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.417 1.087 . . . . 0.0 111.255 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mm -59.73 -55.45 23.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.399 1.08 . . . . 0.0 109.64 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.53 -47.57 87.31 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 125.111 1.339 . . . . 0.0 110.148 -176.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -55.1 -57.96 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 175.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 42.4 t80 -54.07 -54.1 44.06 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.001 0.429 . . . . 0.0 110.622 -173.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -69.6 -28.75 66.21 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.695 -0.669 . . . . 0.0 112.135 -173.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -57.09 -55.01 40.2 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.234 0.925 . . . . 0.0 108.703 169.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -63.18 -54.0 44.37 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-O 118.913 -0.565 . . . . 0.0 111.098 -178.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.2 m -49.83 -48.35 50.95 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.737 1.153 . . . . 0.0 111.241 174.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.34 -44.64 58.39 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 124.691 1.139 . . . . 0.0 111.802 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -46.75 -44.35 18.89 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 117.679 0.739 . . . . 0.0 111.823 177.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -99.96 16.89 22.43 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.312 0.645 . . . . 0.0 111.893 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.8 30.79 73.65 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 123.662 0.648 . . . . 0.0 113.126 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -104.67 157.53 17.12 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 171.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.19 -93.14 0.28 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.972 0.909 . . . . 0.0 109.714 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -99.1 29.05 4.05 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.495 0.718 . . . . 0.0 110.721 -170.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.1 m -146.79 154.52 41.46 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 4.6 tt -148.28 135.78 20.59 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -167.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.5 t -79.58 164.94 23.44 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.994 0.816 . . . . 0.0 112.613 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -71.98 -51.95 19.44 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -169.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -62.85 -36.5 83.45 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 120.64 -1.288 . . . . 0.0 109.525 177.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -62.51 -43.55 98.53 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 121.971 -0.455 . . . . 0.0 110.943 174.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.555 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.7 tm? -52.8 -46.93 67.87 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 171.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -55.5 -45.13 77.08 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 119.194 -1.003 . . . . 0.0 110.491 176.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.27 -49.58 73.81 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.506 0.594 . . . . 0.0 110.775 175.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 tt -48.0 -51.53 23.53 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 124.306 1.042 . . . . 0.0 109.602 174.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.6 mt -60.7 -57.77 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-O 119.405 -0.331 . . . . 0.0 110.218 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -54.73 -37.47 65.95 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.159 0.436 . . . . 0.0 112.003 -175.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -79.98 -56.01 4.55 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 117.968 0.349 . . . . 0.0 110.94 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -80.8 -48.46 12.43 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.654 0.382 . . . . 0.0 110.835 -170.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mp -87.58 67.18 9.24 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.98 78.3 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.805 1.242 . . . . 0.0 112.417 -168.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.8 mt -51.5 -47.15 36.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 125.847 1.659 . . . . 0.0 112.608 -169.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.4 -63.02 3.38 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 -169.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.6 p -75.26 60.53 1.1 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.432 1.093 . . . . 0.0 110.457 174.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.46 -7.15 23.16 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.974 1.309 . . . . 0.0 113.324 -172.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.3 mt -52.61 -24.55 8.58 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.506 0.722 . . . . 0.0 111.348 169.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -66.12 1.27 1.56 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 173.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -43.84 -41.59 5.15 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 125.074 1.35 . . . . 0.0 113.039 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.86 -46.67 71.35 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.489 0.716 . . . . 0.0 111.141 175.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -65.82 -43.02 89.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.3 mm -56.91 -43.22 80.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 CA-C-O 118.084 -0.96 . . . . 0.0 111.404 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 m -69.28 -33.36 57.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 120.583 1.538 . . . . 0.0 112.374 179.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -59.5 -52.01 67.42 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.156 0.889 . . . . 0.0 109.477 170.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.64 -42.33 74.84 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.894 0.878 . . . . 0.0 111.434 176.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.7 ttp -58.13 -51.66 68.78 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.745 1.218 . . . . 0.0 108.431 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -53.5 -50.05 66.22 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -54.04 -51.88 62.64 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.034 0.379 . . . . 0.0 111.595 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.8 mt -53.8 -58.43 7.27 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.354 0.662 . . . . 0.0 110.862 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -68.59 -30.91 69.76 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 118.908 -0.568 . . . . 0.0 112.381 -172.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -46.94 -45.39 20.7 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 123.636 0.774 . . . . 0.0 110.6 -175.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -30.47 43.78 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.56 0.744 . . . . 0.0 112.668 -176.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -132.85 42.56 3.06 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.011 0.924 . . . . 0.0 109.553 172.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 p30 38.05 -85.94 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 127.559 2.344 . . . . 0.0 115.369 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -69.87 -31.55 69.44 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.193 1.397 . . . . 0.0 111.53 -175.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -130.59 177.93 7.0 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.175 0.99 . . . . 0.0 109.578 -172.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.7 p -124.29 129.43 74.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 166.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -85.29 151.01 24.38 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -45.08 -51.61 9.99 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.561 0.745 . . . . 0.0 112.968 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -58.29 -46.46 86.06 Favored 'General case' 0 CA--C 1.53 0.205 0 O-C-N 121.83 -0.544 . . . . 0.0 110.008 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -67.19 -37.34 83.51 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.241 0.616 . . . . 0.0 110.296 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -54.78 -53.65 52.36 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.496 0.718 . . . . 0.0 110.196 170.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.438 HG21 ' CA ' ' B' ' 78' ' ' GLY . 17.2 mm -59.63 -48.21 88.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 118.712 0.687 . . . . 0.0 110.397 178.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.0 m -50.58 -51.72 45.71 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.52 0.676 . . . . 0.0 109.913 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -60.94 -45.47 94.59 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.61 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 12' ' ' LEU . 74.2 mt -57.34 -37.95 73.35 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.274 0.943 . . . . 0.0 110.658 175.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.73 -52.18 50.16 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 169.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.31 -42.9 78.33 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.253 -0.557 . . . . 0.0 111.449 175.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.3 tp -57.91 -49.38 76.95 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.835 1.254 . . . . 0.0 109.672 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.57 -48.8 76.57 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.202 0.601 . . . . 0.0 110.133 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 41.3 ttp -61.1 -38.57 86.76 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 122.771 0.428 . . . . 0.0 111.686 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.0 mt -68.64 -44.12 82.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 124.972 1.309 . . . . 0.0 109.883 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -52.73 -48.97 66.32 Favored 'General case' 0 C--N 1.34 0.167 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 171.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 71.51 -58.67 0.57 Allowed 'General case' 0 N--CA 1.461 0.091 0 C-N-CA 126.185 1.794 . . . . 0.0 113.651 167.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -45.91 -49.05 16.06 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.553 1.141 . . . . 0.0 109.175 172.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -39.42 -43.88 1.28 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.777 1.631 . . . . 0.0 112.819 173.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 42.1 mt -60.54 -48.94 79.56 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 120.887 0.375 . . . . 0.0 110.385 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -75.34 -35.59 61.15 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.517 0.727 . . . . 0.0 110.367 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.242 0 CA-C-O 117.372 -1.793 . . . . 0.0 110.105 174.867 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.24 20.34 1.06 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -39.46 -52.57 4.49 Favored Pre-proline 0 CA--C 1.536 0.425 0 C-N-CA 126.642 1.977 . . . . 0.0 115.059 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -63.1 -34.52 69.23 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 CA-C-N 120.896 1.356 . . . . 0.0 113.426 -169.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 44.9 tp -82.26 -46.05 14.2 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.766 0.712 . . . . 0.0 110.751 169.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -50.43 -43.2 54.91 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.05 0.54 . . . . 0.0 111.106 -175.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -56.04 -42.44 76.55 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.186 0.448 . . . . 0.0 111.474 176.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.24 -53.44 16.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.785 -0.572 . . . . 0.0 110.514 -174.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 20.5 pt -58.53 -40.69 79.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 119.774 -0.77 . . . . 0.0 108.984 174.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.82 -43.17 29.99 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 125.389 1.471 . . . . 0.0 112.271 170.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.98 -59.05 6.05 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.456 1.128 . . . . 0.0 109.655 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -51.19 -47.72 62.14 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 123.163 0.585 . . . . 0.0 110.431 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.41 -47.57 92.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.469 0.708 . . . . 0.0 109.941 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.27 -52.79 50.51 Favored Glycine 0 CA--C 1.521 0.427 0 C-N-CA 124.75 1.167 . . . . 0.0 110.232 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.3 mt -51.35 -60.74 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 107.715 -1.216 . . . . 0.0 107.715 174.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -48.14 -59.28 3.52 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.713 -175.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -74.92 -21.98 58.88 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 119.332 -0.366 . . . . 0.0 111.633 -170.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -60.97 -51.48 69.08 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 168.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -61.14 -46.99 88.28 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.83 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.3 p -61.65 -51.28 69.09 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.204 0.911 . . . . 0.0 110.118 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.28 -38.98 27.35 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 125.609 1.576 . . . . 0.0 112.536 176.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -42.49 -41.69 3.04 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.607 1.163 . . . . 0.0 112.593 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -120.66 31.32 6.49 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.821 0.848 . . . . 0.0 110.548 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.2 22.83 56.59 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 123.894 0.759 . . . . 0.0 113.517 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -83.13 159.91 21.98 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 170.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -115.66 -112.86 0.34 Allowed 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.437 0.695 . . . . 0.0 111.004 -173.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -82.49 33.12 0.41 Allowed 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.442 -0.786 . . . . 0.0 111.945 -169.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 14.3 t -155.79 161.62 40.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.949 1.3 . . . . 0.0 108.096 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 62.8 mt -127.51 158.77 36.54 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.768 1.627 . . . . 0.0 108.116 172.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 60.5 p -100.04 172.54 7.14 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.653 1.181 . . . . 0.0 110.247 171.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -58.44 -57.37 13.24 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -169.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -78.93 -24.62 43.9 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.814 -0.554 . . . . 0.0 110.429 -174.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -62.83 -46.83 86.1 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 169.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.531 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.9 tm? -59.95 -47.99 83.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 172.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -50.26 -47.72 55.06 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.48 -0.763 . . . . 0.0 109.761 175.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -56.4 -50.56 71.27 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.635 0.774 . . . . 0.0 111.085 176.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tt -46.37 -55.28 7.56 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 123.119 0.567 . . . . 0.0 110.114 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 69.6 mt -58.63 -55.64 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-O 119.037 -0.506 . . . . 0.0 110.414 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -62.01 -34.6 76.5 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 119.411 1.005 . . . . 0.0 112.028 -174.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -79.72 -39.52 30.97 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.648 0.658 . . . . 0.0 111.288 -176.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -80.33 -58.2 3.24 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.334 0.516 . . . . 0.0 110.647 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -99.28 67.0 1.54 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.863 2.065 . . . . 0.0 108.4 -176.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.2 m -71.41 75.76 0.76 Allowed 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.569 -0.707 . . . . 0.0 111.412 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.71 76.01 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-O 122.481 1.134 . . . . 0.0 111.127 175.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.92 -146.1 32.27 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.9 m -74.56 56.79 0.7 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.956 0.902 . . . . 0.0 110.885 176.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 47.0 mttp 51.72 47.24 25.18 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.682 1.193 . . . . 0.0 109.955 -175.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.39 -56.47 17.97 Favored 'General case' 0 CA--C 1.523 -0.09 0 O-C-N 121.517 -0.74 . . . . 0.0 112.147 -168.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -75.97 35.83 0.14 Allowed 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.363 -0.836 . . . . 0.0 112.448 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -51.13 -47.38 62.02 Favored 'General case' 0 C--N 1.342 0.254 0 O-C-N 121.154 -0.966 . . . . 0.0 111.945 -173.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.08 -44.89 67.89 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.491 0.662 . . . . 0.0 110.73 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -68.97 -40.01 79.11 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 36.3 mm -56.99 -49.33 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-O 118.43 -0.795 . . . . 0.0 110.866 174.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.4 m -65.03 -37.76 81.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 120.199 1.363 . . . . 0.0 111.506 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -58.04 -49.73 75.86 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.885 0.766 . . . . 0.0 110.284 171.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tt -57.27 -42.86 82.4 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.496 -0.753 . . . . 0.0 111.187 177.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -59.86 -45.99 90.71 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.168 0.987 . . . . 0.0 109.489 176.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -55.48 -52.02 65.05 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -60.12 -28.49 67.91 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.295 -0.878 . . . . 0.0 112.74 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mt -68.83 -58.83 3.62 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.637 0.775 . . . . 0.0 110.524 171.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 40.2 p30 -71.45 -26.18 62.62 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -172.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -40.16 -43.11 1.59 Allowed 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 126.937 2.095 . . . . 0.0 111.388 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -69.87 -3.86 17.71 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.718 0.807 . . . . 0.0 112.735 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -130.36 -63.75 0.88 Allowed 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 125.017 1.327 . . . . 0.0 109.321 169.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 p30 176.65 -91.86 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 126.05 1.74 . . . . 0.0 108.518 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -109.46 -26.12 10.14 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.583 1.553 . . . . 0.0 110.261 175.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -79.8 160.43 26.14 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.741 0.701 . . . . 0.0 109.428 173.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 32.7 t -114.73 111.73 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 104.678 -2.342 . . . . 0.0 104.678 168.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -80.5 149.58 29.98 Favored 'General case' 0 C--N 1.332 -0.156 0 O-C-N 121.223 -0.923 . . . . 0.0 109.56 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -41.56 -55.79 2.77 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -59.48 -43.73 93.22 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 121.621 -0.674 . . . . 0.0 109.758 -175.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -68.39 -37.12 80.08 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.14 0.576 . . . . 0.0 110.182 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -55.11 -53.88 50.21 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.131 0.573 . . . . 0.0 110.148 170.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 23.3 mm -58.14 -51.39 71.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 118.602 0.637 . . . . 0.0 110.081 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 64.5 m -51.4 -51.37 55.34 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.553 0.741 . . . . 0.0 110.28 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -61.15 -45.03 96.3 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.408 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 38.8 mt -56.93 -35.08 68.64 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.096 0.862 . . . . 0.0 110.733 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' GLY . . . . . 0.438 ' CA ' HG21 ' A' ' 74' ' ' ILE . . . -56.53 -53.66 41.86 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 169.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.02 -44.26 70.79 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 117.104 0.452 . . . . 0.0 111.417 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 tp -58.57 -48.55 80.55 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.176 0.99 . . . . 0.0 109.98 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.58 -37.39 75.68 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.975 0.91 . . . . 0.0 110.335 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 13.2 ttt -71.04 -41.22 71.1 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.462 0.705 . . . . 0.0 111.81 175.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.29 -37.9 65.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -71.97 61.86 0.43 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.164 0.507 . . . . 0.0 110.787 169.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -46.77 -39.17 11.25 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 125.457 1.503 . . . . 0.0 112.711 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -50.24 -43.32 52.95 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.076 0.55 . . . . 0.0 111.355 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.55 80.55 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.908 0.483 . . . . 0.0 110.073 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 62.6 mt -54.41 -47.52 72.66 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.193 0.521 . . . . 0.0 110.312 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -64.96 -47.3 78.11 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.733 1.213 . . . . 0.0 110.426 -175.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.315 0 CA-C-O 117.437 -1.757 . . . . 0.0 111.225 -175.303 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 ttt . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.68 -35.06 45.68 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.401 0.68 . . . . 0.0 111.622 -171.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.27 -48.31 6.33 Favored Pre-proline 0 CA--C 1.535 0.397 0 C-N-CA 126.702 2.001 . . . . 0.0 114.853 -172.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.87 -45.87 29.92 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.115 2.543 . . . . 0.0 111.886 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.3 tp -72.1 -46.41 56.83 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.127 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -51.47 -50.98 58.77 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 122.895 0.478 . . . . 0.0 110.587 -176.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -62.82 -36.96 84.89 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.35 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.6 -53.33 43.16 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 118.533 0.606 . . . . 0.0 111.502 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.8 pt -57.37 -44.08 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.53 -44.18 16.07 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 125.366 1.46 . . . . 0.0 112.657 170.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.18 -60.22 4.21 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.208 1.004 . . . . 0.0 109.754 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -52.05 -46.55 65.15 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.284 0.634 . . . . 0.0 110.17 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.46 HD11 ' HB1' ' B' ' 81' ' ' ALA . 65.2 mt -61.55 -50.07 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 123.1 0.56 . . . . 0.0 109.891 -178.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.31 -53.88 42.17 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mt -50.22 -52.8 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -55.1 -60.56 3.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.949 0.404 . . . . 0.0 111.322 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -66.85 -26.55 66.96 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 118.681 -0.676 . . . . 0.0 112.549 -169.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -55.56 -55.7 28.88 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.082 0.855 . . . . 0.0 109.224 169.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -67.93 -39.14 83.56 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 119.144 -0.455 . . . . 0.0 111.56 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -57.28 -52.93 63.37 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.262 0.937 . . . . 0.0 109.971 172.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.54 -42.39 51.17 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 124.571 1.082 . . . . 0.0 111.395 177.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -51.47 -36.35 43.85 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 117.386 0.593 . . . . 0.0 112.412 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -107.45 22.72 15.55 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.601 0.76 . . . . 0.0 111.535 176.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.23 26.48 43.43 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 124.312 0.958 . . . . 0.0 113.282 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -96.22 155.63 16.68 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.998 0.919 . . . . 0.0 108.705 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -97.22 -118.05 0.13 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.463 1.105 . . . . 0.0 109.028 -175.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -80.85 43.74 0.7 Allowed 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.268 -0.895 . . . . 0.0 110.749 -173.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.0 m -154.13 152.84 30.88 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.328 1.451 . . . . 0.0 108.037 -173.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.2 mt -127.67 138.08 52.7 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 124.908 1.283 . . . . 0.0 107.862 170.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.8 t -79.4 150.3 31.38 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.534 0.606 . . . . 0.0 109.712 169.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -50.96 -47.94 61.16 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.747 1.219 . . . . 0.0 113.058 -169.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -70.92 -32.4 69.32 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.753 -0.592 . . . . 0.0 110.859 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.97 -41.88 86.1 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.558 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.8 tm? -55.68 -48.64 74.73 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 170.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -56.01 -43.76 78.03 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.047 -1.033 . . . . 0.0 110.323 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -56.2 -49.24 74.63 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.788 0.435 . . . . 0.0 110.904 175.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tt -49.43 -52.69 27.16 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.042 0.937 . . . . 0.0 109.59 174.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 50.2 mt -61.92 -55.77 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.371 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -54.16 -41.59 68.66 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 119.465 -0.302 . . . . 0.0 111.38 -176.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.0 -54.41 6.06 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 118.117 0.417 . . . . 0.0 110.646 -177.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -77.16 -52.45 9.24 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -171.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 mt -89.55 67.36 7.53 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.85 70.32 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.827 1.651 . . . . 0.0 113.42 -168.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 pt -68.14 93.19 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.631 1.173 . . . . 0.0 110.414 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.7 60.69 0.92 Allowed Glycine 0 CA--C 1.534 1.23 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 169.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.3 m -170.02 59.42 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 128.138 2.575 . . . . 0.0 106.465 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -62.03 -9.01 6.11 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -169.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.473 ' H ' HD22 ' A' ' 48' ' ' LEU . 3.1 mm? -52.0 -37.29 52.69 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.913 0.779 . . . . 0.0 109.467 168.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -67.18 -7.62 25.0 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -53.52 -32.86 52.32 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 119.62 1.1 . . . . 0.0 111.631 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.28 -49.44 69.59 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.353 0.597 . . . . 0.0 110.735 171.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.57 -42.32 99.47 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 176.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.43 -43.52 77.92 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 CA-C-O 117.881 -1.057 . . . . 0.0 111.387 175.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.264 10.5 m -71.3 -32.72 47.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 120.902 1.683 . . . . 0.0 112.716 178.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -59.03 -51.52 69.72 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.6 1.091 . . . . 0.0 109.487 169.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tt -54.63 -42.08 70.81 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.339 1.056 . . . . 0.0 111.196 175.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 55.9 ttp -59.87 -48.17 82.77 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.081 0.952 . . . . 0.0 108.531 177.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -55.38 -48.89 73.62 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 175.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -55.06 -50.61 68.7 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.881 0.309 . . . . 0.0 111.654 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.2 mt -56.93 -58.66 7.18 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.101 0.56 . . . . 0.0 110.332 175.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.38 -19.0 63.83 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.96 0.904 . . . . 0.0 113.39 -171.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -42.0 -38.89 1.74 Allowed 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.651 1.18 . . . . 0.0 110.674 174.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -25.99 -55.76 0.07 Allowed 'General case' 0 C--N 1.341 0.201 0 C-N-CA 126.744 2.018 . . . . 0.0 113.173 167.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -161.91 64.06 0.24 Allowed 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 34.64 -64.66 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 130.452 3.501 . . . . 0.0 117.163 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -75.81 -25.14 56.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 124.924 1.29 . . . . 0.0 111.015 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -142.96 156.1 44.81 Favored 'General case' 0 C--N 1.343 0.306 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -170.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.6 p -113.16 130.01 67.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 126.557 1.943 . . . . 0.0 109.166 169.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.53 155.96 23.06 Favored 'General case' 0 C--N 1.34 0.186 0 CA-C-N 118.29 0.496 . . . . 0.0 110.21 176.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -45.2 -55.23 6.01 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -177.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -65.47 -38.71 90.58 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 118.984 -1.087 . . . . 0.0 110.389 -174.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.65 -34.26 76.58 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.839 -0.538 . . . . 0.0 110.952 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -55.88 -51.57 67.09 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.332 0.515 . . . . 0.0 110.045 168.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.8 mm -57.91 -50.44 77.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-N 118.609 0.641 . . . . 0.0 110.436 177.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.4 m -51.8 -47.49 64.24 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.324 1.05 . . . . 0.0 110.561 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -64.28 -44.44 91.7 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.154 178.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.6 mt -55.99 -33.14 64.56 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.335 0.97 . . . . 0.0 110.675 173.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.11 -49.56 71.05 Favored Glycine 0 CA--C 1.533 1.195 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 168.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.23 -44.13 83.51 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 121.624 -0.927 . . . . 0.0 110.939 173.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 tp -58.92 -44.71 91.37 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.584 0.754 . . . . 0.0 110.119 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.432 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -57.62 -47.78 81.25 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.481 0.712 . . . . 0.0 110.551 172.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.9 ttt -58.79 -37.9 77.37 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 122.017 -0.427 . . . . 0.0 111.576 177.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.6 mt -70.96 -42.25 77.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 125.01 1.324 . . . . 0.0 110.697 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -51.49 -50.31 60.14 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 170.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 72.06 -59.06 0.57 Allowed 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 126.245 1.818 . . . . 0.0 113.445 168.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -51.54 -41.33 61.0 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.792 0.837 . . . . 0.0 109.884 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.46 -41.2 6.11 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.642 1.177 . . . . 0.0 112.423 173.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 51.1 mt -61.4 -40.27 93.79 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.441 0.696 . . . . 0.0 110.349 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.38 -45.11 63.65 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.135 0 CA-C-O 117.454 -1.748 . . . . 0.0 110.247 175.116 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.472 0.638 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.51 -15.97 61.74 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -176.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.57 -50.09 5.17 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 126.038 1.735 . . . . 0.0 114.709 -174.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.46 -37.24 97.92 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 122.941 2.427 . . . . 0.0 112.773 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 53.8 tp -80.18 -46.8 15.73 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -49.55 -47.1 49.35 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 123.033 0.533 . . . . 0.0 110.82 -176.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -60.75 -37.89 83.32 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.29 -52.05 25.75 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 121.585 -0.697 . . . . 0.0 110.677 -177.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.6 pt -58.33 -42.78 84.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 119.61 -0.836 . . . . 0.0 108.984 174.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.92 -43.81 17.39 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 125.447 1.499 . . . . 0.0 112.138 170.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -59.33 5.59 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.167 0.983 . . . . 0.0 110.18 178.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -52.07 -46.31 65.09 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.152 0.581 . . . . 0.0 110.21 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.432 HD11 ' HB1' ' A' ' 81' ' ' ALA . 63.1 mt -62.1 -50.84 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.104 0.562 . . . . 0.0 109.769 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.8 -53.52 38.98 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 9.9 mt -50.7 -56.24 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 175.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -49.31 -54.98 14.37 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 117.958 0.345 . . . . 0.0 110.58 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -73.33 -16.71 61.36 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -173.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -61.76 -50.66 71.48 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 120.53 1.514 . . . . 0.0 108.552 168.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -71.87 -56.37 5.84 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.739 0.816 . . . . 0.0 109.282 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 55.8 m -74.61 60.6 0.91 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.57 1.148 . . . . 0.0 109.154 167.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -164.88 -53.35 0.02 OUTLIER Glycine 0 CA--C 1.522 0.529 0 N-CA-C 104.782 -3.327 . . . . 0.0 104.782 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -48.48 -51.76 25.6 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.234 1.013 . . . . 0.0 109.538 168.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -93.27 38.05 1.04 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.489 0.316 . . . . 0.0 111.699 173.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.54 150.65 9.02 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -178.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -75.72 64.67 1.77 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.697 0.799 . . . . 0.0 111.308 -174.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -85.51 166.92 15.9 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.141 0.977 . . . . 0.0 109.936 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -100.04 18.62 18.06 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.046 0.938 . . . . 0.0 110.257 168.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 77.5 p -134.74 148.2 50.21 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 126.323 1.849 . . . . 0.0 107.238 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 tt -129.56 125.8 37.06 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 107.329 -1.359 . . . . 0.0 107.329 -176.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 92.3 p -78.96 160.72 27.1 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -169.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.66 -51.6 62.65 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.157 0.983 . . . . 0.0 112.181 -173.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -71.72 -42.43 67.32 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.064 -1.023 . . . . 0.0 110.357 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -57.68 -37.46 73.47 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.845 -0.535 . . . . 0.0 110.098 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.481 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.5 tm? -58.16 -50.01 75.02 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 121.821 -0.549 . . . . 0.0 109.627 173.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -54.11 -42.13 69.09 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.479 176.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -57.82 -50.45 73.23 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.217 0.207 . . . . 0.0 110.765 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 tt -50.07 -54.14 22.4 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.034 0.933 . . . . 0.0 109.423 176.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 50.4 mt -59.76 -59.37 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 118.939 -0.553 . . . . 0.0 110.149 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -52.46 -39.85 61.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 119.147 0.885 . . . . 0.0 111.071 -178.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -72.97 -53.16 11.93 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -81.51 -64.83 1.1 Allowed 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 122.163 0.982 . . . . 0.0 109.648 177.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 98.2 mt -82.53 64.07 7.0 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 123.581 0.752 . . . . 0.0 109.308 -174.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.6 m -69.69 75.4 0.43 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.214 1.006 . . . . 0.0 110.192 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.463 HD12 ' H ' ' B' ' 44' ' ' ILE . 0.2 OUTLIER -46.0 149.07 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 126.292 1.837 . . . . 0.0 111.474 -177.403 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -32.28 -60.91 0.35 Allowed Glycine 0 CA--C 1.53 1.002 0 C-N-CA 126.18 1.848 . . . . 0.0 114.584 -177.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 6.6 m -98.4 6.03 47.62 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 117.822 0.811 . . . . 0.0 112.701 -177.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? 59.82 -71.1 0.03 OUTLIER 'General case' 0 C--O 1.232 0.182 0 C-N-CA 127.493 2.317 . . . . 0.0 113.214 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 64.0 mt -78.42 49.22 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 124.966 1.306 . . . . 0.0 111.32 -177.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -82.48 49.49 1.46 Allowed 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 168.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -53.44 -49.35 67.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 124.725 1.21 . . . . 0.0 112.765 -164.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.58 -46.07 63.34 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 123.749 0.656 . . . . 0.0 110.662 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.7 mp0 -66.23 -45.5 80.45 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 9.1 mm -57.72 -45.47 86.82 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.524 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 19.0 m -72.12 -33.03 45.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 120.337 1.426 . . . . 0.0 112.416 -177.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -59.33 -55.36 35.8 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.272 0.942 . . . . 0.0 109.493 169.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 tt -54.17 -45.1 72.0 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.229 0.612 . . . . 0.0 111.074 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 35.8 ttp -57.95 -49.74 75.76 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.881 1.272 . . . . 0.0 108.737 178.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -54.0 -48.2 70.66 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.339 0.518 . . . . 0.0 109.673 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.11 -38.12 85.2 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -177.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.5 mt -65.48 -66.78 0.5 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.069 0.461 . . . . 0.0 110.278 170.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -61.51 -28.02 69.01 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -169.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 9.3 ptm85 -55.72 -30.44 61.16 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.671 1.123 . . . . 0.0 110.757 -171.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -33.94 -52.62 0.44 Allowed 'General case' 0 C--N 1.344 0.349 0 C-N-CA 124.471 1.108 . . . . 0.0 113.121 169.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -137.31 53.7 1.87 Allowed 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 172.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 p30 45.99 -75.33 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.505 2.322 . . . . 0.0 115.474 174.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -75.92 -29.54 58.42 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 125.287 1.435 . . . . 0.0 111.165 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -136.7 155.83 49.34 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.995 0.518 . . . . 0.0 112.359 -174.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.59 133.39 43.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 168.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -80.7 153.06 28.09 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-N 118.628 0.649 . . . . 0.0 110.292 174.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -39.87 -55.14 2.05 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.581 1.152 . . . . 0.0 113.583 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -65.6 -38.1 88.52 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 119.162 -1.015 . . . . 0.0 111.123 -175.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -70.79 -32.4 69.49 Favored 'General case' 0 C--O 1.228 -0.061 0 CA-C-N 119.042 0.837 . . . . 0.0 111.101 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -55.09 -52.33 63.56 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 168.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.0 mm -56.21 -51.34 64.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 O-C-N 122.168 -0.333 . . . . 0.0 110.521 176.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 45.9 m -53.72 -44.95 70.3 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.385 1.074 . . . . 0.0 111.114 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -68.72 -43.69 75.44 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 123.185 0.594 . . . . 0.0 110.128 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 83.3 mt -55.93 -35.94 67.19 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.976 0.807 . . . . 0.0 109.866 170.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.24 -50.28 63.07 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 168.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.67 -48.62 74.74 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 118.347 1.073 . . . . 0.0 111.194 175.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 tp -55.9 -48.64 75.26 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.423 1.089 . . . . 0.0 109.599 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.46 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -58.31 -45.1 88.64 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.667 0.787 . . . . 0.0 110.527 175.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 30.4 ttp -62.03 -42.18 98.89 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.733 0.413 . . . . 0.0 110.762 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.12 -40.63 83.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 123.61 0.764 . . . . 0.0 109.256 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -71.49 55.94 0.24 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.843 0.857 . . . . 0.0 111.939 171.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -40.06 -43.16 1.54 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 127.334 2.254 . . . . 0.0 111.871 169.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -53.15 -49.25 66.99 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.589 0.755 . . . . 0.0 110.63 174.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.14 -38.16 90.07 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.091 -0.381 . . . . 0.0 110.198 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 30.4 mt -57.56 -45.0 85.68 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.07 0.395 . . . . 0.0 110.968 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -43.81 97.83 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 174.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.202 0 CA-C-O 118.038 -1.423 . . . . 0.0 112.995 177.845 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.2 mtt . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.09 -28.15 39.13 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.161 0.584 . . . . 0.0 112.165 -170.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.16 -51.99 22.29 Favored Pre-proline 0 N--CA 1.449 -0.485 0 C-N-CA 125.184 1.394 . . . . 0.0 113.717 -171.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -51.9 -53.91 6.19 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.487 2.792 . . . . 0.0 112.685 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.7 tp -66.05 -45.48 81.23 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.453 -0.779 . . . . 0.0 109.988 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -53.55 -50.28 65.86 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 122.301 0.24 . . . . 0.0 110.689 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -61.44 -40.74 95.55 Favored 'General case' 0 CA--C 1.528 0.107 0 O-C-N 122.141 -0.35 . . . . 0.0 110.719 178.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.11 -54.91 34.53 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 121.918 -0.489 . . . . 0.0 111.716 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.9 pt -58.5 -42.86 85.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.1 -43.62 18.22 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 125.019 1.295 . . . . 0.0 112.512 170.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.42 -59.71 5.01 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.282 1.041 . . . . 0.0 109.973 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -51.27 -49.51 61.05 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.555 0.742 . . . . 0.0 109.842 178.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.17 -49.77 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.093 -176.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.08 -54.73 34.69 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 125.06 1.314 . . . . 0.0 109.982 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mt -49.9 -57.39 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -51.57 -59.27 4.46 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.851 0.358 . . . . 0.0 110.996 -177.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -69.31 -29.74 67.65 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -171.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -58.66 -48.35 81.37 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.635 0.652 . . . . 0.0 109.538 171.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -62.64 -48.99 76.95 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.219 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.7 m -46.84 -47.31 21.22 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 119.144 0.884 . . . . 0.0 110.298 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -41.44 -29.9 0.47 Allowed Glycine 0 CA--C 1.53 0.976 0 C-N-CA 126.463 1.982 . . . . 0.0 114.538 177.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -49.26 -47.73 46.41 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.716 1.258 . . . . 0.0 111.052 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -99.36 -39.57 8.33 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.817 0.847 . . . . 0.0 110.985 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.7 164.17 24.98 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 110.159 -1.176 . . . . 0.0 110.159 176.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -73.27 70.64 1.17 Allowed 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.69 -0.888 . . . . 0.0 110.929 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -104.39 150.96 24.05 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.926 1.69 . . . . 0.0 109.792 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -85.84 25.51 1.1 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.288 1.035 . . . . 0.0 111.433 174.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 p -142.46 114.23 8.04 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.64 1.576 . . . . 0.0 108.41 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.84 153.79 22.0 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 168.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.4 t -94.45 -179.29 4.85 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.638 0.654 . . . . 0.0 109.654 169.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -64.16 -67.53 0.42 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.647 1.179 . . . . 0.0 111.214 -169.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -60.68 -33.31 72.67 Favored 'General case' 0 C--O 1.226 -0.184 0 O-C-N 121.696 -0.628 . . . . 0.0 110.347 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -61.24 -47.11 87.58 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.111 0.564 . . . . 0.0 110.472 176.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.545 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.0 tm? -56.91 -48.6 77.85 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.693 -0.629 . . . . 0.0 109.372 171.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -54.75 -44.34 73.51 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.147 -0.971 . . . . 0.0 110.805 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -54.92 -52.46 62.85 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.351 1.461 . . . . 0.0 110.348 175.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -46.07 -53.43 10.24 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.803 0.841 . . . . 0.0 109.873 172.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.6 mt -63.71 -44.36 98.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.941 -0.474 . . . . 0.0 111.482 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -61.79 -44.66 96.43 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.909 -0.494 . . . . 0.0 109.694 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -78.9 -42.5 27.04 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 111.463 0.171 . . . . 0.0 111.463 -172.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -79.95 -60.12 2.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.8 mt -80.25 -47.32 14.78 Favored 'General case' 0 N--CA 1.461 0.102 0 O-C-N 121.899 -0.501 . . . . 0.0 110.402 -169.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.1 m 62.18 64.67 0.95 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.547 0.689 . . . . 0.0 111.159 172.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -12.25 11.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -177.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.16 -71.73 1.45 Allowed Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.292 0.948 . . . . 0.0 113.015 169.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.9 m -71.25 87.63 0.82 Allowed 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 122.179 -0.6 . . . . 0.0 109.529 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -56.86 -10.92 1.2 Allowed 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -171.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tt -48.05 -37.27 14.61 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.523 -0.736 . . . . 0.0 109.388 166.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -61.36 -15.79 39.7 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.501 1.12 . . . . 0.0 113.298 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.86 -39.28 25.17 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 119.902 1.228 . . . . 0.0 112.427 -175.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.28 -48.71 68.11 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.384 0.611 . . . . 0.0 111.104 173.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -61.39 -46.0 92.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.4 mm -55.7 -47.04 79.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-O 118.777 -0.63 . . . . 0.0 110.505 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.25 23.9 m -71.82 -32.21 43.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 119.466 1.03 . . . . 0.0 112.241 -177.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -59.62 -51.02 71.61 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.217 0.917 . . . . 0.0 109.251 169.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tt -55.0 -44.3 74.38 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.642 0.777 . . . . 0.0 111.202 176.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 62.6 ttp -58.02 -51.35 70.02 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.514 1.125 . . . . 0.0 108.984 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -52.52 -49.41 64.87 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 123.086 0.555 . . . . 0.0 109.926 175.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -60.22 -38.21 82.68 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.86 -0.525 . . . . 0.0 111.692 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mt -66.74 -52.63 42.2 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.318 0.647 . . . . 0.0 111.436 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -72.58 -33.72 66.96 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 121.843 -0.536 . . . . 0.0 112.094 -173.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.3 tpt85 -53.3 -37.95 62.69 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 123.098 0.559 . . . . 0.0 111.09 -169.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -50.05 -32.75 16.28 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.047 0.939 . . . . 0.0 112.166 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -137.45 56.82 1.76 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 168.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 p30 49.25 -87.68 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.634 1.973 . . . . 0.0 113.723 176.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -90.7 -35.0 15.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.514 1.126 . . . . 0.0 111.183 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -93.01 124.44 36.98 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.573 0.701 . . . . 0.0 110.177 -169.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.9 t -79.18 91.08 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 168.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -77.5 145.25 37.12 Favored 'General case' 0 CA--C 1.528 0.111 0 O-C-N 122.138 -0.352 . . . . 0.0 110.189 -175.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -45.62 -58.07 3.71 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -170.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -61.66 -34.67 76.13 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.022 -1.049 . . . . 0.0 110.828 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -68.0 -39.72 83.15 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.189 0.596 . . . . 0.0 109.41 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -55.48 -52.81 62.41 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.876 0.471 . . . . 0.0 110.304 169.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.8 mm -56.75 -52.09 58.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 118.462 0.573 . . . . 0.0 110.417 178.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.5 m -53.1 -48.7 67.58 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.169 0.988 . . . . 0.0 110.41 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -62.0 -44.24 97.14 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 119.167 -0.444 . . . . 0.0 110.43 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.15 -35.25 69.29 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.381 0.991 . . . . 0.0 110.202 173.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.59 -50.74 62.69 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 169.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.7 -47.47 79.85 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.538 -0.978 . . . . 0.0 111.201 176.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.5 tp -53.74 -49.58 67.86 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.433 1.493 . . . . 0.0 109.512 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -58.22 -44.39 88.19 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.024 0.929 . . . . 0.0 111.136 176.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 20.7 ttt -64.66 -41.24 96.24 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.992 -0.443 . . . . 0.0 111.046 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.45 -42.21 92.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 C-N-CA 124.371 1.068 . . . . 0.0 109.046 174.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.5 m-30 -72.11 57.59 0.35 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.349 0.66 . . . . 0.0 109.697 169.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -56.56 -35.24 67.92 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.363 -0.836 . . . . 0.0 111.892 -171.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -47.52 -43.74 25.09 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.482 1.113 . . . . 0.0 111.387 171.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.42 91.26 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 122.908 0.483 . . . . 0.0 110.852 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.21 -51.38 68.03 Favored 'General case' 0 CA--C 1.528 0.108 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 175.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.96 -36.71 70.62 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 176.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.224 0 CA-C-O 117.166 -1.908 . . . . 0.0 114.415 -178.113 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mpp? . . . . . 0 N--CA 1.473 0.711 0 CA-C-O 121.529 0.681 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.29 -29.71 70.03 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -38.87 -58.52 1.67 Allowed Pre-proline 0 CA--C 1.541 0.618 0 C-N-CA 126.247 1.819 . . . . 0.0 114.697 -172.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -46.15 -44.54 19.41 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.988 3.125 . . . . 0.0 114.229 174.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 tp -75.19 -46.03 36.7 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.977 0.808 . . . . 0.0 109.553 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -51.03 -48.19 61.52 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 123.444 0.698 . . . . 0.0 110.714 -177.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -61.14 -40.11 92.61 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 117.914 0.324 . . . . 0.0 111.301 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.36 -54.67 25.51 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.831 -0.543 . . . . 0.0 110.886 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 42.5 pt -58.13 -42.48 83.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 120.03 -0.668 . . . . 0.0 109.217 175.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.15 -43.76 13.85 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 126.016 1.769 . . . . 0.0 112.276 170.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.68 -61.08 2.88 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.802 0.841 . . . . 0.0 109.864 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -52.25 -46.22 65.69 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.767 0.827 . . . . 0.0 110.127 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.464 HD11 ' HB1' ' A' ' 81' ' ' ALA . 59.5 mt -58.5 -54.41 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 123.737 0.815 . . . . 0.0 109.846 -178.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.83 -52.21 53.52 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mt -47.88 -48.9 11.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 123.405 0.682 . . . . 0.0 110.083 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -66.95 -64.14 0.91 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.21 0.529 . . . . 0.0 111.759 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.97 -31.05 70.64 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -166.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -63.83 -46.31 85.62 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 120.24 -0.584 . . . . 0.0 109.836 172.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -71.25 -44.22 65.7 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 119.255 -0.402 . . . . 0.0 111.879 -175.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.9 p -62.04 -46.96 86.85 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 119.261 0.937 . . . . 0.0 109.413 171.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.17 -47.16 8.25 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.27 0.938 . . . . 0.0 112.037 173.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -51.55 -35.08 39.47 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.932 0.893 . . . . 0.0 112.454 177.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.54 25.51 11.62 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.382 1.073 . . . . 0.0 111.962 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.51 -38.37 1.22 Allowed Glycine 0 CA--C 1.531 1.048 0 CA-C-O 118.782 -1.01 . . . . 0.0 115.573 168.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -77.95 53.71 1.2 Allowed 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.392 1.596 . . . . 0.0 114.201 -167.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm 11.17 -82.86 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 129.236 3.014 . . . . 0.0 116.124 175.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -94.08 14.74 18.95 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 -169.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t -138.05 148.01 44.65 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 124.487 1.115 . . . . 0.0 110.46 173.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 tt -133.72 121.23 21.63 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -169.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 25.3 p -78.91 170.82 16.09 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.508 0.67 . . . . 0.0 111.83 -171.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -57.43 -62.39 1.81 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.619 1.168 . . . . 0.0 112.221 -168.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -70.25 -30.76 67.88 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.639 -0.663 . . . . 0.0 110.487 -175.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -61.26 -43.37 98.99 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.461 -0.774 . . . . 0.0 109.501 173.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.439 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.7 tm? -59.23 -48.37 81.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 173.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -50.71 -46.41 58.94 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.489 -0.757 . . . . 0.0 110.666 175.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -58.9 -47.52 84.69 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 122.661 0.384 . . . . 0.0 110.869 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tt -50.8 -54.57 22.48 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.348 0.659 . . . . 0.0 110.03 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 80.5 mt -59.29 -53.58 46.13 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -56.86 -28.76 62.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 123.318 0.647 . . . . 0.0 111.721 -175.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -78.85 -58.3 3.31 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.439 0.563 . . . . 0.0 112.179 170.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -68.83 -69.57 0.32 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 122.753 1.264 . . . . 0.0 108.922 -175.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 65.7 mt -87.94 63.31 7.31 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 -176.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.5 t -69.63 88.37 0.51 Allowed 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 122.187 0.994 . . . . 0.0 111.912 -169.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.91 78.58 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 124.133 0.973 . . . . 0.0 111.732 174.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.0 -40.23 9.66 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 169.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.1 m -66.03 68.07 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.394 1.478 . . . . 0.0 110.169 168.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -33.09 9.15 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.415 1.486 . . . . 0.0 114.458 -169.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 81.3 mt -51.06 -39.77 56.77 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.198 0.523 . . . . 0.0 111.527 175.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -62.45 -11.27 15.02 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.468 0.707 . . . . 0.0 112.357 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -53.6 -27.05 24.55 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.079 0.854 . . . . 0.0 111.234 169.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.46 -47.49 72.87 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.293 0.497 . . . . 0.0 111.245 169.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -63.12 -43.46 98.34 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 37.5 mm -56.08 -43.95 77.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 CA-C-O 117.943 -1.027 . . . . 0.0 111.525 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 m -65.45 -33.05 61.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 120.88 1.673 . . . . 0.0 112.291 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -62.0 -50.3 72.59 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.116 -0.99 . . . . 0.0 109.779 171.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.27 -39.63 83.53 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.939 -0.476 . . . . 0.0 111.439 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.0 ttp -58.04 -53.46 58.05 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 125.085 1.354 . . . . 0.0 108.735 173.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -50.8 -50.65 55.74 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -55.53 -52.29 64.2 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 117.807 0.276 . . . . 0.0 111.04 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mt -53.7 -57.55 10.41 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 123.61 0.764 . . . . 0.0 111.624 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -63.77 -38.96 93.06 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 121.736 -0.602 . . . . 0.0 110.891 -178.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -59.01 -37.04 75.98 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.967 0.907 . . . . 0.0 110.022 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -47.67 -28.42 2.4 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.036 0.935 . . . . 0.0 111.709 174.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -140.44 59.47 1.55 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 166.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.288 3.6 p30 60.33 -61.32 0.07 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 127.828 2.451 . . . . 0.0 116.473 171.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -133.94 -37.36 0.9 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.376 1.07 . . . . 0.0 113.773 -169.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -133.29 128.62 36.18 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 -178.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 14.5 p -76.65 118.15 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -170.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -84.25 148.65 26.58 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -44.24 -60.46 1.9 Allowed 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -169.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -59.61 -38.59 81.68 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.322 -0.861 . . . . 0.0 110.909 -176.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 -66.23 -40.11 90.03 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.448 1.099 . . . . 0.0 110.549 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -55.46 -50.17 70.58 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.843 -0.535 . . . . 0.0 110.051 170.005 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.4 mm -57.6 -47.95 84.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.6 m -52.01 -47.71 64.82 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.964 0.906 . . . . 0.0 110.431 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -63.95 -45.06 90.85 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 122.671 0.388 . . . . 0.0 110.589 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.8 mt -57.42 -34.69 69.19 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.151 -0.968 . . . . 0.0 110.489 173.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.75 -49.42 70.6 Favored Glycine 0 CA--C 1.532 1.14 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 168.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.14 -50.89 63.62 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 117.368 0.584 . . . . 0.0 110.648 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.9 tp -56.4 -45.17 80.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.156 0.983 . . . . 0.0 110.312 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.77 89.04 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.348 0.659 . . . . 0.0 111.046 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 27.4 ptm -68.64 -33.24 73.66 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.133 0.879 . . . . 0.0 112.471 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 70.5 mt -56.41 -44.26 79.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -73.54 50.33 0.32 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.799 0.839 . . . . 0.0 111.342 169.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -41.15 -40.55 1.56 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 127.3 2.24 . . . . 0.0 112.127 171.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -54.47 -45.37 73.15 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.42 0.688 . . . . 0.0 111.151 176.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.75 94.2 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.942 0.497 . . . . 0.0 110.182 176.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.82 -51.71 68.81 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.927 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -66.78 -43.16 84.71 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.622 0.249 . . . . 0.0 110.748 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.26 0 CA-C-O 117.432 -1.76 . . . . 0.0 111.25 -178.484 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.5 mtp . . . . . 0 N--CA 1.472 0.668 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 74.66 -57.78 0.6 Allowed 'General case' 0 C--O 1.233 0.199 0 C-N-CA 128.008 2.523 . . . . 0.0 110.233 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -41.95 -48.26 10.81 Favored Pre-proline 0 CA--C 1.536 0.436 0 C-N-CA 125.172 1.389 . . . . 0.0 113.744 -176.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.82 -37.17 97.39 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.5 2.133 . . . . 0.0 113.284 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.1 tp -81.22 -46.43 14.84 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 118.349 0.522 . . . . 0.0 109.733 174.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -50.29 -45.56 54.6 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 123.819 0.848 . . . . 0.0 110.543 -176.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -59.98 -38.48 82.67 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 117.987 0.358 . . . . 0.0 111.707 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.6 -53.96 13.9 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.717 -0.614 . . . . 0.0 110.551 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.4 pt -57.93 -41.56 80.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 119.726 -0.789 . . . . 0.0 109.1 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.52 -43.21 20.65 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 125.852 1.691 . . . . 0.0 112.243 169.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.48 -60.36 3.97 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.548 1.174 . . . . 0.0 109.962 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -50.85 -47.63 60.21 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 123.442 0.697 . . . . 0.0 110.219 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.492 HD11 ' HB1' ' B' ' 81' ' ' ALA . 61.6 mt -61.45 -49.19 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.253 0.621 . . . . 0.0 109.648 -179.123 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.54 -53.43 46.04 Favored Glycine 0 CA--C 1.522 0.522 0 C-N-CA 124.427 1.013 . . . . 0.0 110.6 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.1 mt -49.55 -55.12 5.08 Favored 'Isoleucine or valine' 0 C--N 1.339 0.119 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 175.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -53.6 -55.85 22.22 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.331 0.586 . . . . 0.0 111.475 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.4 -19.82 65.45 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 118.089 -0.958 . . . . 0.0 113.545 -170.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -58.72 -52.31 66.23 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.343 1.429 . . . . 0.0 108.959 168.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -75.38 -40.89 57.51 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.726 -173.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 m -63.51 -36.83 85.07 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.22 -0.925 . . . . 0.0 110.602 170.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.86 -58.44 4.86 Favored Glycine 0 C--N 1.336 0.557 0 C-N-CA 125.69 1.614 . . . . 0.0 109.922 169.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -45.84 -49.2 15.56 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.075 0.95 . . . . 0.0 111.776 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -89.92 36.32 0.86 Allowed 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 177.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.91 43.84 7.45 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 123.97 0.795 . . . . 0.0 112.852 169.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.42 46.95 17.31 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 126.31 1.844 . . . . 0.0 113.597 170.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -76.84 177.17 7.86 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.257 0.551 . . . . 0.0 110.051 175.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -108.15 38.89 2.08 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 169.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.7 m -158.47 152.64 24.03 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.429 1.892 . . . . 0.0 106.037 -172.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.4 mt -122.3 140.23 52.87 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 170.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.2 m -77.2 151.26 35.29 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 168.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -49.14 -40.98 34.68 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -168.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -74.85 -32.36 61.9 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.778 -0.576 . . . . 0.0 111.464 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.87 -44.77 92.11 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 173.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.586 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.5 tm? -54.95 -49.87 70.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 170.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -54.74 -42.27 71.42 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.326 -0.859 . . . . 0.0 110.292 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -58.12 -50.29 74.0 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.375 0.534 . . . . 0.0 111.126 175.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -46.54 -54.13 9.95 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.423 0.689 . . . . 0.0 110.016 172.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.5 mt -61.15 -55.75 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 O-C-N 122.102 -0.374 . . . . 0.0 110.608 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -53.69 -39.82 65.48 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 122.528 0.331 . . . . 0.0 111.136 -176.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -77.97 -56.19 4.69 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.88 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -75.01 -55.48 5.7 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.047 0.451 . . . . 0.0 110.089 -171.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.0 mt -87.8 69.65 9.55 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.31 66.31 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.312 1.445 . . . . 0.0 114.691 -168.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.86 81.81 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 O-C-N 121.034 -1.041 . . . . 0.0 109.569 169.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.94 -29.3 8.17 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.896 1.236 . . . . 0.0 112.07 170.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 p -67.25 66.65 0.07 Allowed 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 126.224 1.81 . . . . 0.0 110.352 169.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -57.62 -15.63 8.09 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -174.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.1 mt -51.03 -36.68 40.89 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.0 -1.062 . . . . 0.0 110.821 169.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -64.42 -10.6 26.07 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.561 0.744 . . . . 0.0 112.957 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -50.4 -34.34 24.0 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 119.502 1.046 . . . . 0.0 111.474 177.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.8 -49.26 71.42 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.247 0.476 . . . . 0.0 111.312 172.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -60.18 -47.3 86.53 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 176.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.7 mm -54.74 -43.3 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.985 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.326 13.5 m -69.41 -32.93 55.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 120.362 1.437 . . . . 0.0 113.069 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -62.82 -47.55 82.91 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 119.072 -1.051 . . . . 0.0 109.318 169.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.83 -45.14 82.54 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.732 -0.605 . . . . 0.0 112.036 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.408 ' HB2' HD12 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -68.97 -36.64 78.12 Favored 'General case' 0 C--N 1.34 0.159 0 O-C-N 121.073 -1.017 . . . . 0.0 109.706 -179.302 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -54.89 -53.08 60.09 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 171.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -53.42 -51.93 61.02 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.563 0.345 . . . . 0.0 111.55 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mt -53.69 -54.46 37.54 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 122.941 0.496 . . . . 0.0 111.099 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -31.11 63.5 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.965 -0.54 . . . . 0.0 112.0 -170.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -48.14 -42.89 30.56 Favored 'General case' 0 C--N 1.338 0.107 0 C-N-CA 124.276 1.03 . . . . 0.0 110.47 -173.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -43.05 -39.85 2.88 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.461 1.104 . . . . 0.0 112.498 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -138.5 60.44 1.61 Allowed 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 169.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 13.37 88.75 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 128.04 2.536 . . . . 0.0 114.824 173.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 96.57 -27.48 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 128.144 2.578 . . . . 0.0 112.621 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -103.54 108.14 19.28 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.992 0.917 . . . . 0.0 109.426 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.3 t -78.63 93.44 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 173.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -77.13 146.67 37.02 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.835 -0.541 . . . . 0.0 109.933 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -43.55 -51.47 6.8 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.034 0.934 . . . . 0.0 113.399 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -57.85 -43.73 86.07 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.372 0.606 . . . . 0.0 110.033 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -70.43 -37.62 74.42 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.515 0.726 . . . . 0.0 110.169 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -53.84 -53.84 46.9 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.189 0.596 . . . . 0.0 110.132 169.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.0 mm -59.2 -50.28 80.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 118.502 0.592 . . . . 0.0 110.381 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 50.8 m -51.27 -46.84 62.55 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.495 0.718 . . . . 0.0 110.765 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -65.77 -43.12 89.79 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.165 0.586 . . . . 0.0 110.551 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.4 mt -56.56 -35.27 67.95 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.594 1.088 . . . . 0.0 110.289 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.56 -49.79 67.26 Favored Glycine 0 CA--C 1.533 1.161 0 N-CA-C 111.374 -0.691 . . . . 0.0 111.374 168.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.77 -45.35 78.14 Favored 'General case' 0 C--O 1.224 -0.26 0 O-C-N 121.849 -0.795 . . . . 0.0 111.133 173.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.5 tp -58.26 -45.95 86.88 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.407 1.083 . . . . 0.0 109.809 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.8 -52.12 65.08 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.534 0.733 . . . . 0.0 110.423 173.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -57.32 -41.0 79.09 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.984 0.514 . . . . 0.0 111.701 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.6 mt -68.5 -45.49 81.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 125.013 1.325 . . . . 0.0 110.458 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -52.68 -47.36 67.25 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 171.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 73.05 -57.53 0.63 Allowed 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 125.471 1.508 . . . . 0.0 113.73 167.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -50.14 -40.34 46.04 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.194 0.597 . . . . 0.0 109.949 174.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.49 -42.87 7.48 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.186 1.394 . . . . 0.0 112.329 173.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 40.5 mt -61.75 -35.99 79.7 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.231 0.613 . . . . 0.0 110.964 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.73 -53.0 6.57 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -177.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.214 0 CA-C-O 117.808 -1.551 . . . . 0.0 111.112 -179.451 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 110.568 -0.16 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.18 -26.13 62.83 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -174.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.94 -54.45 4.31 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 126.224 1.81 . . . . 0.0 114.41 -170.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.93 -45.59 39.75 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.472 2.781 . . . . 0.0 111.901 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 56.8 tp -67.95 -46.18 72.17 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -52.92 -50.19 64.45 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 122.924 0.489 . . . . 0.0 110.611 -178.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -61.08 -41.05 95.91 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.121 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.33 -54.85 34.49 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.723 -0.611 . . . . 0.0 111.982 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 32.2 pt -57.43 -43.58 82.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.43 -42.4 13.44 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 125.427 1.489 . . . . 0.0 112.492 171.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -60.4 3.89 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.127 0.963 . . . . 0.0 109.928 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -51.44 -48.12 62.82 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.451 0.701 . . . . 0.0 110.213 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.41 -56.34 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 123.863 0.865 . . . . 0.0 108.983 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.04 -52.1 41.94 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 124.39 0.995 . . . . 0.0 111.261 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mt -51.11 -52.94 16.53 Favored 'Isoleucine or valine' 0 C--N 1.34 0.156 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -57.36 -61.78 2.24 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 120.813 0.339 . . . . 0.0 111.636 -177.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -68.67 -23.21 64.37 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -169.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -59.59 -51.07 71.39 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 120.032 1.287 . . . . 0.0 109.428 169.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -64.36 -41.51 96.68 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 119.142 -0.456 . . . . 0.0 111.451 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 15.4 m -55.27 -52.94 61.79 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.944 0.793 . . . . 0.0 110.172 171.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.5 -43.24 52.36 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 125.801 1.667 . . . . 0.0 111.634 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -51.82 -34.22 39.34 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 117.459 0.63 . . . . 0.0 112.469 177.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -113.66 21.61 14.87 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.669 0.787 . . . . 0.0 111.222 175.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.49 18.52 5.3 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.626 1.584 . . . . 0.0 114.412 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -85.78 39.56 0.81 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.06 1.43 . . . . 0.0 111.924 -168.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 63.2 mttm 27.03 -90.56 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 128.209 2.604 . . . . 0.0 115.748 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -113.87 25.96 10.74 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.831 1.252 . . . . 0.0 112.014 -172.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 97.6 m -140.85 158.89 43.31 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.309 1.444 . . . . 0.0 108.608 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 94.5 mt -124.49 139.27 54.04 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 124.84 1.256 . . . . 0.0 107.67 169.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.3 t -79.34 153.3 29.9 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 168.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -50.93 -46.3 60.83 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.54 0.736 . . . . 0.0 112.796 -171.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -71.7 -29.48 64.61 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.186 -0.946 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -66.14 -41.85 89.9 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.521 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.0 tm? -56.04 -48.89 75.15 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 170.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -53.21 -48.2 68.32 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 120.91 -1.119 . . . . 0.0 110.589 175.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -54.58 -47.06 73.75 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 122.537 0.335 . . . . 0.0 110.932 177.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 tt -51.09 -54.18 27.34 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 124.148 0.979 . . . . 0.0 109.514 174.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 47.5 mt -59.6 -49.45 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 O-C-N 122.056 -0.403 . . . . 0.0 110.995 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -57.62 -42.26 82.99 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 122.209 -0.307 . . . . 0.0 110.813 -177.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -74.93 -51.19 14.41 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.617 0.644 . . . . 0.0 112.125 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -80.37 -45.41 17.77 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.321 0.648 . . . . 0.0 112.245 -169.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mp -92.03 -49.26 6.3 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.215 0.606 . . . . 0.0 109.504 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.7 m 60.01 67.71 0.84 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.843 0.857 . . . . 0.0 111.958 174.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 pp -69.71 75.01 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 O-C-N 121.764 -0.585 . . . . 0.0 110.378 170.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -39.99 -41.23 1.92 Allowed Glycine 0 CA--C 1.53 0.995 0 C-N-CA 126.445 1.974 . . . . 0.0 113.838 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -64.29 76.88 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.061 0.944 . . . . 0.0 110.726 170.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -43.38 -29.07 0.39 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.673 1.989 . . . . 0.0 115.479 -172.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 82.7 mt -48.15 -39.81 21.84 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.423 1.01 . . . . 0.0 111.417 173.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -56.18 -17.51 7.53 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.111 0.964 . . . . 0.0 113.055 177.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -47.61 -35.73 9.69 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.58 1.082 . . . . 0.0 111.196 171.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.12 78.26 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.049 0.452 . . . . 0.0 111.296 172.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -60.59 -45.88 92.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 18.1 mm -57.29 -42.14 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-O 117.605 -1.188 . . . . 0.0 111.311 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 m -68.73 -36.85 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 121.138 1.79 . . . . 0.0 112.47 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.51 -52.22 66.5 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.106 0.866 . . . . 0.0 109.696 173.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.54 -42.95 79.35 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.625 1.17 . . . . 0.0 111.245 177.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 60.9 ttp -58.07 -49.22 77.67 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.85 1.26 . . . . 0.0 108.551 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -56.49 -49.17 75.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 176.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -56.55 -41.69 77.26 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 122.023 -0.423 . . . . 0.0 112.102 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.53 -51.69 64.38 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.851 0.86 . . . . 0.0 110.689 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.45 -27.28 56.11 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -170.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 45.2 ttm180 -51.27 -41.53 60.47 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.654 0.781 . . . . 0.0 110.514 -176.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -52.8 -31.72 40.15 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.272 1.029 . . . . 0.0 112.061 -177.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -132.2 59.83 1.7 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 168.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.278 3.3 p30 57.23 -74.72 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 127.525 2.33 . . . . 0.0 114.258 175.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -137.44 12.48 3.0 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.398 1.479 . . . . 0.0 111.688 -174.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -132.92 158.72 41.88 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 169.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 3.1 t -107.06 106.24 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 125.138 1.375 . . . . 0.0 107.525 177.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -80.53 152.22 28.77 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.835 -0.54 . . . . 0.0 110.215 174.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -43.47 -60.65 1.65 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -170.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.84 -36.02 82.53 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 118.99 -1.084 . . . . 0.0 110.599 -174.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -62.76 -41.85 99.41 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.26 0.624 . . . . 0.0 109.731 177.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -54.06 -53.51 52.09 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 117.831 0.287 . . . . 0.0 110.795 170.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.3 mm -56.36 -49.46 76.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 118.006 0.366 . . . . 0.0 110.087 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 48.9 m -53.31 -49.91 66.03 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.399 1.079 . . . . 0.0 110.162 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -61.03 -46.22 91.59 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 119.307 -0.377 . . . . 0.0 110.454 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 61.4 mt -56.79 -35.47 68.75 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.057 0.844 . . . . 0.0 110.5 174.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.67 -51.94 53.63 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 169.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.68 -46.03 81.39 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 117.76 0.78 . . . . 0.0 111.25 176.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.3 tp -55.17 -49.35 72.07 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.654 1.182 . . . . 0.0 109.711 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.492 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -60.07 -41.65 92.87 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.494 0.718 . . . . 0.0 111.148 177.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.06 -47.0 86.62 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 71.2 mt -56.51 -40.45 68.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -72.31 60.04 0.43 Allowed 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.812 -0.555 . . . . 0.0 111.563 171.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -48.71 -33.41 10.09 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.232 -0.918 . . . . 0.0 111.682 169.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -55.13 -46.72 75.64 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.486 0.714 . . . . 0.0 110.328 173.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.89 82.95 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.888 0.475 . . . . 0.0 110.052 177.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 55.2 mt -53.1 -51.69 61.06 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 117.692 0.224 . . . . 0.0 110.853 176.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -64.9 -46.87 79.94 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 117.09 -1.95 . . . . 0.0 111.384 179.76 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.7 mtt . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 110.457 -0.201 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 69.8 -65.11 0.32 Allowed 'General case' 0 C--N 1.34 0.172 0 C-N-CA 129.405 3.082 . . . . 0.0 110.071 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.42 -49.43 4.91 Favored Pre-proline 0 N--CA 1.449 -0.505 0 C-N-CA 128.372 2.669 . . . . 0.0 113.87 -177.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -61.52 -46.67 13.69 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.226 1.951 . . . . 0.0 112.607 -174.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.3 tp -77.69 -44.63 27.35 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -51.18 -47.17 62.25 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.588 0.755 . . . . 0.0 110.81 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -62.26 -36.1 81.0 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 119.855 -0.738 . . . . 0.0 111.558 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.52 -53.05 17.73 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.758 -0.589 . . . . 0.0 110.785 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.5 pt -58.03 -41.98 81.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.93 -46.07 25.85 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.978 1.275 . . . . 0.0 112.141 170.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.47 ' CD1' HD12 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -56.77 -59.63 4.74 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.227 1.013 . . . . 0.0 110.051 179.375 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -50.41 -50.39 51.95 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 123.334 0.654 . . . . 0.0 109.748 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.66 -46.28 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.97 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.06 -54.95 33.75 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.47 HD12 ' CD1' ' A' ' 11' ' ' LEU . 3.8 mt -51.58 -53.55 15.96 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 CA-C-N 117.386 0.593 . . . . 0.0 109.419 178.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -55.72 -63.16 1.26 Allowed 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.845 -178.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -72.64 -22.71 60.9 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 119.218 -0.42 . . . . 0.0 111.96 -169.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -59.52 -50.1 75.2 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 169.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -60.34 -46.93 88.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.475 -0.774 . . . . 0.0 111.426 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 m -50.0 -54.46 19.97 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.164 0.893 . . . . 0.0 110.721 172.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.35 -40.16 60.5 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 125.566 1.555 . . . . 0.0 112.074 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -47.37 -36.21 9.28 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.877 0.871 . . . . 0.0 112.306 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -123.11 30.12 6.48 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.2 0.6 . . . . 0.0 111.322 176.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.64 34.44 20.8 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.757 1.17 . . . . 0.0 113.61 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -82.64 160.09 22.54 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 117.518 0.659 . . . . 0.0 109.259 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -73.71 -161.39 0.11 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.672 0.789 . . . . 0.0 109.991 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -75.02 59.57 0.94 Allowed 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.326 -0.859 . . . . 0.0 111.502 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 t -156.18 164.6 38.17 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 126.56 1.944 . . . . 0.0 106.724 -176.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.7 mt -132.99 149.81 52.21 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.372 1.069 . . . . 0.0 109.018 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.2 p -95.34 178.75 5.41 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.93 1.292 . . . . 0.0 111.019 175.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -60.48 -68.15 0.33 Allowed 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.16 0.984 . . . . 0.0 112.088 -170.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -63.42 -35.9 81.95 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.785 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -56.79 -49.19 76.06 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.03 0.532 . . . . 0.0 109.729 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.498 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.6 tm? -59.81 -48.38 81.92 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -55.66 -42.21 74.75 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 119.298 -0.961 . . . . 0.0 110.603 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -62.54 -38.54 90.41 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.241 1.016 . . . . 0.0 111.193 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 tt -55.31 -54.18 46.84 Favored 'General case' 0 C--N 1.338 0.098 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 169.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.2 mt -62.78 -46.95 95.06 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 CA-C-O 119.015 -0.517 . . . . 0.0 111.306 -175.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -58.36 -40.4 82.15 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 119.524 1.057 . . . . 0.0 111.069 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.31 -54.67 18.65 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.336 0.516 . . . . 0.0 110.055 177.516 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -75.24 -46.51 33.36 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -169.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.9 mt -115.42 73.19 0.82 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 125.648 1.579 . . . . 0.0 107.345 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.4 m -76.41 66.03 2.39 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.34 0.656 . . . . 0.0 110.534 -174.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.42 126.93 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 O-C-N 121.774 -0.579 . . . . 0.0 109.847 178.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.8 -30.22 77.39 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 t -73.0 70.38 1.03 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.945 0.898 . . . . 0.0 110.609 -178.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -60.02 -19.41 52.54 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.719 -0.613 . . . . 0.0 111.785 176.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.0 mt -51.26 -32.32 24.04 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.317 0.647 . . . . 0.0 111.53 169.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -84.39 10.13 11.47 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.434 0.693 . . . . 0.0 112.164 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -47.19 -43.39 21.38 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 119.385 0.993 . . . . 0.0 111.493 171.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.73 -48.77 40.33 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.683 1.193 . . . . 0.0 111.28 172.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -65.1 -42.36 94.11 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.0 mm -57.79 -47.57 85.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 118.969 -0.538 . . . . 0.0 110.604 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.1 m -66.69 -36.6 77.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 119.68 1.127 . . . . 0.0 111.664 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -58.79 -51.45 69.93 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.025 0.829 . . . . 0.0 110.194 172.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.64 -45.17 73.72 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.277 1.031 . . . . 0.0 110.877 176.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -60.2 -47.59 85.33 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.748 0.819 . . . . 0.0 109.569 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -54.05 -52.8 59.74 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -53.3 -49.13 67.63 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.966 0.506 . . . . 0.0 111.019 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mt -50.97 -60.89 2.61 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.435 0.694 . . . . 0.0 110.409 175.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -73.51 -24.93 60.23 Favored 'General case' 0 CA--C 1.527 0.093 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -171.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -53.33 -36.0 60.81 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.533 0.733 . . . . 0.0 110.654 -176.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -44.75 -38.59 4.56 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.571 1.149 . . . . 0.0 112.51 175.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -131.01 54.01 1.94 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.962 0.887 . . . . 0.0 109.649 169.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.2 p30 54.01 -17.6 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 119.568 3.173 . . . . 0.0 119.568 167.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -166.92 -39.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 120.313 1.415 . . . . 0.0 111.251 -170.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -110.78 146.34 36.55 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 172.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.6 p -93.53 126.44 45.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 168.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -88.16 160.27 17.82 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -44.79 -61.79 1.46 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -175.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -63.66 -32.82 74.42 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.087 -1.008 . . . . 0.0 110.907 -175.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -62.14 -45.66 92.44 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -54.42 -52.07 62.91 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.681 0.793 . . . . 0.0 110.422 173.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.0 mm -57.52 -51.13 73.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 118.507 0.594 . . . . 0.0 110.608 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.1 m -54.1 -47.92 71.26 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.654 0.781 . . . . 0.0 110.06 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -60.86 -44.74 96.6 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 119.112 -0.471 . . . . 0.0 110.39 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.0 mt -56.78 -34.96 68.15 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.357 0.981 . . . . 0.0 110.62 173.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.38 -52.01 54.23 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 121.733 -0.604 . . . . 0.0 111.601 169.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.57 -44.64 77.04 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.76 -0.847 . . . . 0.0 111.19 175.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.9 tp -58.95 -44.73 91.48 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.538 1.135 . . . . 0.0 109.895 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.75 90.59 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.553 0.741 . . . . 0.0 110.947 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 68.6 mtm -59.06 -45.38 90.95 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.489 0.586 . . . . 0.0 111.515 173.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 80.3 mt -58.5 -44.87 89.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -73.08 54.02 0.38 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.733 0.813 . . . . 0.0 110.05 171.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -57.65 -30.95 65.83 Favored 'General case' 0 N--CA 1.457 -0.109 0 O-C-N 121.271 -0.893 . . . . 0.0 112.613 -169.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -46.2 -43.79 15.57 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.327 1.051 . . . . 0.0 111.253 171.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.3 95.16 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 122.69 0.396 . . . . 0.0 110.64 177.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.9 mt -68.71 -40.38 80.01 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -58.65 -42.96 89.56 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.094 -0.379 . . . . 0.0 110.048 171.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.178 0 CA-C-O 116.839 -2.089 . . . . 0.0 112.717 175.778 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 43.4 mtt . . . . . 0 N--CA 1.474 0.74 0 CA-C-O 120.917 0.389 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.57 -53.86 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.918 1.687 . . . . 0.0 108.134 173.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -46.53 -51.97 33.04 Favored Pre-proline 0 N--CA 1.448 -0.55 0 C-N-CA 125.666 1.587 . . . . 0.0 114.872 -173.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -52.5 -52.58 8.56 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.711 2.274 . . . . 0.0 114.266 -169.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 59.6 tp -72.46 -45.63 58.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 121.535 -0.728 . . . . 0.0 109.794 177.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -52.37 -45.74 65.91 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.687 0.395 . . . . 0.0 111.049 -176.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -66.83 -36.01 81.36 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.147 0.43 . . . . 0.0 111.063 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.2 -53.87 32.06 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 121.676 -0.64 . . . . 0.0 111.013 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 35.5 pt -58.24 -41.9 82.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 174.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.18 -41.38 11.34 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.658 1.599 . . . . 0.0 112.694 169.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.41 -59.63 4.96 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.417 1.108 . . . . 0.0 109.716 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -52.63 -47.52 66.98 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.486 0.714 . . . . 0.0 109.984 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.2 mt -59.74 -50.23 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 124.049 0.94 . . . . 0.0 109.865 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.67 -54.72 35.52 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 125.008 1.29 . . . . 0.0 110.048 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mt -48.17 -53.28 6.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 176.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -57.83 -56.48 21.43 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.335 -178.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -73.45 -28.06 61.75 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 121.911 -0.493 . . . . 0.0 112.164 -170.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -59.79 -51.91 67.71 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 170.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -56.76 -57.03 14.22 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.49 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.9 t -46.18 -51.42 14.19 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.02 0.928 . . . . 0.0 111.334 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.6 -37.29 50.02 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.725 1.155 . . . . 0.0 112.586 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -51.56 -32.93 30.19 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.052 0.926 . . . . 0.0 111.907 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -122.87 28.48 7.23 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.449 0.7 . . . . 0.0 111.133 175.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 51.07 33.67 30.14 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.401 1.0 . . . . 0.0 113.674 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -85.18 171.18 12.18 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 175.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -115.24 -123.01 0.29 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.939 1.296 . . . . 0.0 109.599 -172.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -78.21 36.55 0.24 Allowed 'General case' 0 CA--C 1.539 0.548 0 O-C-N 120.959 -1.088 . . . . 0.0 111.547 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -151.3 150.78 30.93 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.995 1.718 . . . . 0.0 107.675 -169.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 96.6 mt -125.65 155.7 40.42 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 168.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.9 p -87.73 157.82 18.96 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 168.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -64.56 -43.54 93.6 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 120.896 -1.128 . . . . 0.0 113.249 -170.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -71.14 -35.53 71.75 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.078 -1.014 . . . . 0.0 110.595 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -56.81 -48.65 77.48 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 171.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.544 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.3 tm? -53.72 -49.0 69.05 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.009 0.524 . . . . 0.0 109.773 172.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -49.3 -48.56 46.1 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.251 -0.906 . . . . 0.0 109.79 176.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.26 -46.95 88.04 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.972 0.909 . . . . 0.0 111.941 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -47.6 -53.2 15.34 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.293 1.037 . . . . 0.0 109.017 174.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 73.1 mt -59.86 -44.8 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.952 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.27 -43.0 96.56 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 119.376 0.989 . . . . 0.0 110.691 -175.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -70.6 -56.65 6.0 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.709 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -74.91 -47.67 28.64 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.218 -0.302 . . . . 0.0 111.493 -169.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 74.9 mt -112.62 63.96 0.63 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.626 1.57 . . . . 0.0 109.612 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.2 m -62.73 -20.09 64.58 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.709 0.804 . . . . 0.0 113.087 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.507 HD11 HD11 ' B' ' 53' ' ' ILE . 42.6 pt 45.45 -133.71 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 126.056 1.742 . . . . 0.0 112.615 173.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.51 63.77 3.92 Favored Glycine 0 C--N 1.339 0.725 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 -176.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 23.5 m 43.77 39.89 2.78 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.382 1.073 . . . . 0.0 111.355 -171.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? 59.17 20.27 8.28 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.168 1.387 . . . . 0.0 113.926 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.87 -30.06 71.23 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 119.232 0.924 . . . . 0.0 110.926 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -74.62 36.94 0.11 Allowed 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.638 -0.664 . . . . 0.0 112.219 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -55.67 -46.48 77.56 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 124.285 1.034 . . . . 0.0 111.367 -170.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.06 -45.89 64.91 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.907 0.883 . . . . 0.0 110.741 175.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -66.34 -43.64 85.54 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.507 HD11 HD11 ' B' ' 44' ' ' ILE . 30.5 mm -53.63 -52.95 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-O 118.664 -0.684 . . . . 0.0 109.939 173.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.291 15.5 m -67.08 -34.64 71.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 119.561 1.073 . . . . 0.0 112.183 -174.166 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -56.95 -53.34 59.17 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.876 0.762 . . . . 0.0 110.057 169.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tt -56.47 -42.11 77.68 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.525 0.73 . . . . 0.0 111.397 178.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -62.5 -42.45 99.51 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.377 1.071 . . . . 0.0 109.734 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -57.49 -49.48 76.16 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.022 0.374 . . . . 0.0 110.049 172.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -54.28 -50.31 67.55 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 117.757 0.253 . . . . 0.0 111.205 177.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.3 mt -55.21 -55.54 30.09 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.221 0.608 . . . . 0.0 110.698 175.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -71.16 -21.11 62.22 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -172.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -45.45 -33.9 2.88 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.053 0.941 . . . . 0.0 110.912 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -35.61 -54.34 0.7 Allowed 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.671 1.588 . . . . 0.0 113.332 168.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -156.74 48.66 0.46 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.927 0.891 . . . . 0.0 109.88 -172.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 p30 51.63 -71.56 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 128.27 2.628 . . . . 0.0 115.097 173.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -85.19 -37.64 19.91 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.636 1.574 . . . . 0.0 110.129 176.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -103.26 150.54 23.63 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -169.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.3 t -116.66 111.08 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 126.916 2.087 . . . . 0.0 105.605 169.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -79.36 146.92 32.62 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 121.72 -0.613 . . . . 0.0 109.649 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -45.16 -51.09 10.86 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.372 1.069 . . . . 0.0 113.198 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -57.38 -47.25 82.16 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.669 -0.644 . . . . 0.0 110.034 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -69.14 -34.93 75.78 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 119.442 -0.313 . . . . 0.0 110.662 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -54.94 -53.87 50.02 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.365 0.53 . . . . 0.0 110.051 169.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.0 mm -58.37 -50.69 77.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 118.672 0.669 . . . . 0.0 110.227 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 35.5 m -52.83 -45.75 67.45 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.495 0.718 . . . . 0.0 110.779 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -66.34 -43.76 85.18 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 123.552 0.741 . . . . 0.0 110.206 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 80.9 mt -56.69 -35.32 68.34 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.179 0.9 . . . . 0.0 110.058 172.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.57 -50.14 64.95 Favored Glycine 0 CA--C 1.532 1.139 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 168.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.93 -45.93 78.62 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.58 -0.953 . . . . 0.0 111.182 174.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.1 tp -58.08 -46.32 85.66 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.182 0.993 . . . . 0.0 109.723 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.88 -42.97 85.7 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.722 0.809 . . . . 0.0 110.746 174.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 36.0 ttm -60.51 -44.74 95.7 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.996 -0.44 . . . . 0.0 111.227 174.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.99 -41.56 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.285 0.634 . . . . 0.0 109.35 174.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -73.15 58.81 0.52 Allowed 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.858 -0.527 . . . . 0.0 110.556 169.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -51.09 -40.47 58.46 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.569 1.148 . . . . 0.0 111.581 -175.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -57.64 -35.78 70.97 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.93 0.492 . . . . 0.0 111.482 178.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.84 -47.11 84.8 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 10.6 mt -60.89 -40.66 93.9 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 121.134 -0.227 . . . . 0.0 110.883 176.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -56.14 -46.8 79.11 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.465 0.706 . . . . 0.0 109.893 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.175 0 CA-C-O 117.242 -1.866 . . . . 0.0 111.632 174.602 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.2 mtp . . . . . 0 N--CA 1.473 0.721 0 CA-C-O 119.576 -0.25 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -39.04 -72.33 0.06 Allowed 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 125.527 1.531 . . . . 0.0 112.469 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -54.27 50.37 Favored Pre-proline 0 CA--C 1.539 0.528 0 C-N-CA 123.67 0.788 . . . . 0.0 112.032 -178.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -44.62 -44.13 14.01 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.599 2.866 . . . . 0.0 114.708 171.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.4 tp -72.46 -49.59 32.23 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 119.664 1.12 . . . . 0.0 110.441 176.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -50.74 -47.85 59.27 Favored 'General case' 0 N--CA 1.458 -0.075 0 C-N-CA 124.394 1.078 . . . . 0.0 110.259 -175.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -61.15 -37.16 81.84 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.365 -0.209 . . . . 0.0 111.424 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.56 -54.0 19.43 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.717 -0.614 . . . . 0.0 110.767 -178.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.8 pt -57.34 -43.43 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 174.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.74 -44.02 23.24 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 125.377 1.465 . . . . 0.0 112.33 171.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -60.65 3.49 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.235 1.014 . . . . 0.0 109.666 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -51.31 -47.45 62.61 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.387 0.675 . . . . 0.0 110.326 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.459 HD11 ' HB1' ' B' ' 81' ' ' ALA . 58.5 mt -61.81 -51.05 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.055 0.542 . . . . 0.0 109.911 -177.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.31 -54.1 38.22 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -50.97 -55.76 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -53.28 -60.67 3.0 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.123 0.487 . . . . 0.0 111.193 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -71.34 -22.46 61.91 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.758 -168.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -61.52 -55.66 28.57 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 119.302 0.956 . . . . 0.0 109.091 168.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -63.26 -36.83 84.95 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 118.948 -0.548 . . . . 0.0 111.365 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.5 m -58.37 -59.15 5.79 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 119.23 0.923 . . . . 0.0 109.066 169.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -40.62 -43.62 3.04 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 125.739 1.638 . . . . 0.0 112.79 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -47.27 -43.31 22.07 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.857 0.863 . . . . 0.0 113.084 176.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -90.96 -44.61 9.24 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.576 0.75 . . . . 0.0 110.706 173.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.99 142.64 4.98 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 125.783 1.659 . . . . 0.0 109.044 173.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -74.06 72.17 1.65 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.027 0.913 . . . . 0.0 110.737 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -121.98 155.67 35.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 126.937 2.095 . . . . 0.0 106.947 169.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -78.44 48.04 0.75 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.62 0.645 . . . . 0.0 111.884 -172.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.9 p -149.31 138.96 21.74 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.005 1.322 . . . . 0.0 109.279 -172.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.2 mt -109.61 133.7 52.81 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 168.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.2 t -77.37 147.11 36.27 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 169.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -45.44 -45.48 12.92 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.29 1.436 . . . . 0.0 112.462 -171.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.66 -35.05 70.23 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.697 -0.627 . . . . 0.0 111.381 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.44 -41.97 92.89 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.557 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.6 tm? -56.05 -49.29 74.17 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 169.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -56.16 -40.35 73.73 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 120.879 -1.138 . . . . 0.0 110.744 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -59.58 -50.34 74.28 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.09 0.556 . . . . 0.0 110.516 175.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -46.87 -53.62 11.73 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.234 1.014 . . . . 0.0 109.635 173.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.2 mt -62.12 -52.02 65.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 O-C-N 121.788 -0.57 . . . . 0.0 110.796 -177.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -58.28 -39.78 80.16 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.892 -0.505 . . . . 0.0 111.546 -178.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -80.5 -46.3 16.07 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.716 0.689 . . . . 0.0 111.873 -176.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -82.05 -46.51 13.81 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.763 0.825 . . . . 0.0 112.595 -174.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.6 mp -90.07 -50.97 5.7 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -176.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.4 m 65.21 71.49 0.44 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.825 0.85 . . . . 0.0 112.59 170.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.24 99.12 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 O-C-N 121.891 -0.505 . . . . 0.0 109.784 169.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.91 57.91 2.65 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 121.329 -0.857 . . . . 0.0 112.16 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 m -174.65 85.12 0.04 OUTLIER 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 127.276 2.231 . . . . 0.0 106.802 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -56.43 -19.35 14.69 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -171.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.5 mt -48.9 -36.7 17.79 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.476 -0.765 . . . . 0.0 111.331 169.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -62.73 -15.59 53.78 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -49.08 -38.32 24.07 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 119.628 1.104 . . . . 0.0 112.432 -176.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.96 -48.39 70.35 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.469 0.652 . . . . 0.0 111.023 173.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -65.12 -40.41 94.44 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.0 mm -56.85 -49.66 78.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.337 0 CA-C-O 119.022 -0.513 . . . . 0.0 110.042 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.263 17.9 m -68.37 -32.44 55.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 119.108 0.867 . . . . 0.0 112.192 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -58.72 -51.48 69.8 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.206 0.912 . . . . 0.0 109.614 169.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -57.38 -42.4 82.06 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.811 0.844 . . . . 0.0 111.306 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.6 ttp -58.96 -50.5 73.81 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 124.823 1.249 . . . . 0.0 108.962 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -53.71 -50.49 65.8 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -54.91 -51.71 65.18 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.229 0.468 . . . . 0.0 110.946 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.1 mt -51.65 -61.05 2.49 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.622 0.769 . . . . 0.0 110.376 175.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.48 -25.42 61.42 Favored 'General case' 0 CA--C 1.528 0.105 0 O-C-N 121.505 -0.747 . . . . 0.0 112.999 -171.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.6 tpt85 -65.97 -14.46 61.65 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.073 0.949 . . . . 0.0 111.201 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -31.0 64.52 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.643 -0.661 . . . . 0.0 109.317 168.355 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -123.65 -127.29 0.25 Allowed 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 168.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -142.77 115.72 8.8 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 104.724 -2.324 . . . . 0.0 104.724 167.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 75.09 -36.31 0.31 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.954 1.302 . . . . 0.0 114.305 168.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -106.35 109.34 21.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.396 1.078 . . . . 0.0 109.194 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.06 111.02 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -77.6 150.64 34.64 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 121.418 -0.801 . . . . 0.0 109.261 175.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -39.94 -51.22 2.51 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.167 0.987 . . . . 0.0 113.114 176.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -62.46 -42.47 99.5 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.723 -0.611 . . . . 0.0 110.363 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -62.83 -44.52 95.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.967 0.907 . . . . 0.0 109.543 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -53.89 -53.63 49.94 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.426 0.691 . . . . 0.0 110.756 173.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.28 -48.85 83.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 119.026 0.83 . . . . 0.0 110.196 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.6 m -52.14 -50.58 61.46 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.355 0.598 . . . . 0.0 110.166 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.17 -45.87 92.85 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 122.619 0.368 . . . . 0.0 110.861 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.9 mt -57.64 -36.33 71.7 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.068 0.849 . . . . 0.0 110.421 175.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.7 -49.88 63.51 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 169.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.2 -44.63 92.23 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 117.733 0.766 . . . . 0.0 111.88 175.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 tp -56.1 -49.9 72.56 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.59 1.156 . . . . 0.0 109.282 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.406 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -58.98 -43.92 91.48 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.515 0.726 . . . . 0.0 110.845 176.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 14.3 tpt -60.09 -44.6 94.69 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.403 0.281 . . . . 0.0 110.648 177.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.2 mt -58.57 -40.12 77.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 123.285 0.634 . . . . 0.0 109.32 174.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -72.51 56.36 0.37 Allowed 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.748 -0.595 . . . . 0.0 112.24 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -41.47 -44.63 2.96 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 125.427 1.491 . . . . 0.0 112.113 172.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -54.22 -45.6 72.3 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.418 0.287 . . . . 0.0 110.693 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.44 97.61 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.573 0.349 . . . . 0.0 110.134 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.9 mt -53.6 -51.21 63.75 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 117.674 0.216 . . . . 0.0 110.717 175.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -66.84 -39.71 87.71 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.119 0.168 . . . . 0.0 111.353 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.356 -1.802 . . . . 0.0 111.327 176.551 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 81.0 mtp . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 110.683 -0.118 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.62 -57.15 0.59 Allowed 'General case' 0 C--N 1.341 0.204 0 C-N-CA 128.828 2.851 . . . . 0.0 111.249 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.2 p -36.7 -54.36 1.69 Allowed Pre-proline 0 CA--C 1.542 0.646 0 C-N-CA 128.188 2.595 . . . . 0.0 114.001 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -58.11 -34.1 98.12 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 121.992 1.794 . . . . 0.0 113.403 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 58.9 tp -81.2 -46.19 15.21 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 119.12 0.873 . . . . 0.0 110.052 173.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -49.92 -47.26 52.41 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 124.156 0.982 . . . . 0.0 110.305 -176.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -58.06 -39.57 78.81 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.488 177.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.37 -53.98 16.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.908 -0.495 . . . . 0.0 110.411 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.6 pt -57.9 -43.58 84.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.39 -43.27 26.98 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 125.546 1.546 . . . . 0.0 112.268 171.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -60.05 4.49 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.079 0.952 . . . . 0.0 109.945 179.236 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -52.34 -45.71 65.78 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 123.407 0.683 . . . . 0.0 110.112 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.406 HD11 ' HB1' ' A' ' 81' ' ' ALA . 64.4 mt -60.1 -53.96 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 122.942 0.497 . . . . 0.0 110.102 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.63 -51.91 51.77 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 mt -49.59 -56.58 2.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -53.96 -56.93 13.25 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.276 0.56 . . . . 0.0 111.794 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -67.4 -26.09 66.27 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -169.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -59.01 -54.69 44.28 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 119.243 0.929 . . . . 0.0 109.614 169.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -68.41 -39.02 81.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 119.0 -0.524 . . . . 0.0 111.693 -175.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 83.7 p -65.89 -48.76 70.4 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 119.771 1.168 . . . . 0.0 109.214 173.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -36.16 -51.86 1.26 Allowed Glycine 0 CA--C 1.525 0.698 0 C-N-CA 126.13 1.824 . . . . 0.0 112.446 171.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.96 -41.2 15.77 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.326 0.651 . . . . 0.0 112.644 177.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -110.96 35.32 3.57 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.308 1.443 . . . . 0.0 110.917 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.56 123.75 4.23 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 124.193 0.902 . . . . 0.0 110.973 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.11 70.43 0.09 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.829 1.652 . . . . 0.0 113.005 -172.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -114.87 163.17 15.91 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 126.131 1.772 . . . . 0.0 108.789 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -82.32 40.18 0.63 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.254 0.622 . . . . 0.0 110.656 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 42.6 p -144.66 128.27 17.13 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.788 1.235 . . . . 0.0 109.628 -169.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 60.1 mt -107.56 130.14 54.91 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 169.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.1 t -78.69 178.78 7.59 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.651 0.66 . . . . 0.0 111.118 172.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -60.66 -67.48 0.39 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 125.405 1.482 . . . . 0.0 111.615 -169.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -66.54 -29.69 69.83 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.004 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -59.32 -48.41 81.74 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 173.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.529 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.6 tm? -58.25 -49.31 77.55 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -56.78 -40.26 75.55 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 119.247 -0.981 . . . . 0.0 110.811 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.57 -50.69 72.89 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.603 0.761 . . . . 0.0 110.099 175.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tt -47.2 -54.42 10.77 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.214 0.605 . . . . 0.0 109.744 172.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.4 mt -60.76 -55.55 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.664 -177.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -57.71 -39.34 76.99 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.396 0.998 . . . . 0.0 111.871 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -80.08 -41.15 26.16 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.707 -0.621 . . . . 0.0 111.551 -174.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -81.41 -56.84 3.78 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.207 0.527 . . . . 0.0 110.822 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -96.09 65.26 2.43 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 126.294 1.837 . . . . 0.0 107.685 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 5.2 m -71.91 70.09 0.73 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.753 0.821 . . . . 0.0 111.493 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 12.5 pt -57.55 133.96 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 123.652 0.781 . . . . 0.0 109.715 173.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.07 -45.47 93.78 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 6.7 m -72.63 60.39 0.48 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.345 1.458 . . . . 0.0 112.169 -178.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -61.33 -13.41 19.18 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.484 0.714 . . . . 0.0 112.596 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 82.4 mt -53.22 -24.53 11.33 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.549 0.739 . . . . 0.0 111.45 168.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -66.98 2.23 1.57 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 171.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -44.56 -42.57 7.39 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 119.983 1.265 . . . . 0.0 112.582 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.3 -48.2 68.6 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.535 0.734 . . . . 0.0 111.103 175.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -64.74 -42.91 94.85 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 36.5 mm -58.3 -45.06 89.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.876 177.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 17.5 m -68.19 -35.96 73.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 120.104 1.32 . . . . 0.0 111.876 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -58.96 -51.36 70.37 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.292 0.951 . . . . 0.0 110.24 171.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.9 -44.66 74.35 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.799 0.84 . . . . 0.0 110.787 176.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 16.3 tmm? -62.39 -42.68 99.61 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.725 0.81 . . . . 0.0 109.936 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -56.6 -50.53 71.72 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 122.813 0.445 . . . . 0.0 109.965 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -54.6 -48.69 71.85 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.738 0.415 . . . . 0.0 111.266 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mt -55.86 -60.95 2.73 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.302 0.641 . . . . 0.0 110.517 174.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -65.54 -18.79 65.59 Favored 'General case' 0 C--O 1.227 -0.113 0 CA-C-O 118.247 -0.882 . . . . 0.0 113.016 -174.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -42.28 -35.73 1.06 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.767 1.227 . . . . 0.0 111.495 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -29.84 -56.03 0.17 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.669 1.588 . . . . 0.0 112.534 167.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 tpmt? -162.88 62.16 0.19 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.62 1.168 . . . . 0.0 108.85 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 34.5 -64.38 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 130.558 3.543 . . . . 0.0 117.185 171.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -61.79 -35.13 77.28 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.457 1.503 . . . . 0.0 110.023 176.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -151.23 155.8 39.57 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -170.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 10.1 p -101.9 119.55 50.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 125.193 1.397 . . . . 0.0 108.178 168.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -79.96 146.34 32.12 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -39.61 -55.82 1.79 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.953 1.701 . . . . 0.0 113.756 -173.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -59.81 -41.14 90.6 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.587 -0.696 . . . . 0.0 110.838 -175.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -69.94 -35.82 74.81 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.329 0.652 . . . . 0.0 109.965 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -56.46 -51.94 66.55 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.282 0.492 . . . . 0.0 110.424 169.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 30.8 mm -57.14 -49.38 79.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 118.468 0.576 . . . . 0.0 109.833 177.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 33.4 m -53.7 -47.55 70.41 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.016 0.436 . . . . 0.0 110.381 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -61.18 -43.48 98.81 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 121.489 -0.757 . . . . 0.0 110.654 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 80.0 mt -58.29 -34.27 70.35 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.204 0.911 . . . . 0.0 110.623 173.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.99 -42.89 98.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 121.698 -0.626 . . . . 0.0 111.87 168.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.95 -47.41 85.03 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.081 -1.247 . . . . 0.0 110.26 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.4 tp -54.83 -48.08 73.3 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.027 1.331 . . . . 0.0 109.71 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.459 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -57.31 -48.94 77.66 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.931 0.893 . . . . 0.0 110.896 175.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 56.2 ttp -60.51 -40.88 93.01 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 122.233 -0.292 . . . . 0.0 111.134 178.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 68.0 mt -60.82 -41.54 89.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 124.085 0.954 . . . . 0.0 109.512 174.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -73.35 52.81 0.38 Allowed 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.673 0.669 . . . . 0.0 110.117 169.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -55.47 -33.43 63.65 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 124.882 1.273 . . . . 0.0 112.846 -168.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -47.9 -38.47 16.48 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.126 0.97 . . . . 0.0 111.475 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.98 -34.96 78.64 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.947 0.499 . . . . 0.0 111.67 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 29.9 mt -76.64 -50.94 12.54 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -56.42 -44.84 80.76 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.729 0.412 . . . . 0.0 111.432 -177.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.208 0 CA-C-O 117.435 -1.758 . . . . 0.0 111.234 -177.751 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.4 tpp . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 110.569 -0.16 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.66 -58.32 0.02 OUTLIER 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.638 1.575 . . . . 0.0 107.731 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.74 -52.45 8.61 Favored Pre-proline 0 N--CA 1.448 -0.526 0 C-N-CA 126.438 1.895 . . . . 0.0 113.439 -178.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -53.47 -50.45 13.82 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.839 2.359 . . . . 0.0 112.941 -175.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.7 tp -72.17 -45.23 61.28 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 119.419 -0.912 . . . . 0.0 109.671 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -52.89 -47.65 67.76 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 122.37 0.268 . . . . 0.0 111.124 -176.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -64.24 -39.52 94.12 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.073 -0.392 . . . . 0.0 110.896 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.85 -53.24 53.72 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.398 0.545 . . . . 0.0 111.509 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.6 pt -57.75 -47.32 86.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 175.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.51 -44.3 5.18 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.277 1.418 . . . . 0.0 112.81 171.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -61.05 2.7 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.421 1.089 . . . . 0.0 110.105 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mp -52.84 -47.84 67.47 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.644 0.777 . . . . 0.0 109.994 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.65 -48.09 88.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -176.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.29 -52.52 51.14 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 124.602 1.096 . . . . 0.0 110.418 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.4 mt -46.43 -54.84 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.16 0 C-N-CA 123.409 0.684 . . . . 0.0 109.397 174.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -58.25 -62.76 1.6 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -66.59 -26.33 67.05 Favored 'General case' 0 C--O 1.226 -0.135 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -169.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -59.28 -53.2 60.96 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 169.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -67.07 -41.18 86.85 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -178.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.3 m -55.83 -58.45 7.79 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 169.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -41.98 -44.73 4.73 Favored Glycine 0 CA--C 1.523 0.589 0 C-N-CA 126.368 1.937 . . . . 0.0 112.837 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -48.0 -37.11 13.96 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.776 0.83 . . . . 0.0 112.712 177.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.42 -25.08 12.95 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.482 1.113 . . . . 0.0 113.094 175.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.1 125.51 0.81 Allowed Glycine 0 CA--C 1.53 1.018 0 C-N-CA 125.62 1.581 . . . . 0.0 109.491 -175.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -75.15 68.87 1.97 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.063 0.932 . . . . 0.0 111.449 -176.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -114.73 159.36 20.63 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.61 1.564 . . . . 0.0 107.731 169.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -81.39 43.86 0.76 Allowed 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.713 -0.617 . . . . 0.0 111.796 -172.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.4 p -138.94 161.62 36.88 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.986 1.714 . . . . 0.0 107.902 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 tt -148.14 125.85 11.84 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -176.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.34 174.66 11.35 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -168.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -60.36 -66.96 0.44 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 122.423 1.106 . . . . 0.0 112.029 -171.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -71.63 -27.94 63.44 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.583 -0.698 . . . . 0.0 109.737 -176.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -58.28 -45.7 87.41 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 171.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.503 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.5 tm? -60.97 -48.27 82.59 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 174.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -55.61 -43.95 76.58 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 118.795 -1.162 . . . . 0.0 110.831 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -57.4 -48.09 79.99 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.073 0.949 . . . . 0.0 110.44 176.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 tt -47.87 -53.93 14.15 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 123.506 0.722 . . . . 0.0 109.717 172.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.9 mt -60.55 -50.21 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 O-C-N 121.42 -0.8 . . . . 0.0 111.122 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -61.08 -31.92 71.58 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.276 -0.89 . . . . 0.0 111.419 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.91 -54.69 8.04 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.609 0.641 . . . . 0.0 112.032 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -80.63 -47.12 14.56 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.569 0.747 . . . . 0.0 112.431 -172.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -85.7 -50.12 7.43 Favored 'General case' 0 N--CA 1.461 0.085 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -176.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 m 58.55 65.79 1.19 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.868 0.842 . . . . 0.0 111.034 176.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 pt -66.16 83.52 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 123.169 0.588 . . . . 0.0 111.393 178.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -43.69 -40.94 5.4 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.336 0.969 . . . . 0.0 111.297 169.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 m -69.29 66.55 0.18 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.427 1.091 . . . . 0.0 110.485 169.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -57.16 -20.06 24.13 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.636 1.174 . . . . 0.0 113.312 -171.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.8 mt -48.85 -33.66 11.03 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.244 0.617 . . . . 0.0 111.754 170.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -64.81 -7.06 9.61 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -43.51 -46.29 6.87 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.32 1.048 . . . . 0.0 112.174 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.08 -45.87 68.36 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.017 0.527 . . . . 0.0 111.159 176.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -63.23 -46.3 87.6 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.9 mm -55.78 -46.7 79.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.886 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.27 13.9 m -68.1 -37.44 78.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 119.954 1.252 . . . . 0.0 112.102 -176.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -60.81 -50.49 73.25 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.952 0.797 . . . . 0.0 110.084 171.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -53.7 -44.45 69.8 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.523 -0.736 . . . . 0.0 111.242 176.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -63.28 -46.43 86.85 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 125.129 1.372 . . . . 0.0 109.733 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -53.01 -51.46 61.6 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 170.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -62.76 -32.24 73.34 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.653 -0.655 . . . . 0.0 112.305 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mt -66.52 -65.04 0.73 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 170.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -61.66 -30.95 71.05 Favored 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -170.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.5 ttp85 -29.93 -52.99 0.15 Allowed 'General case' 0 C--N 1.342 0.251 0 C-N-CA 127.302 2.241 . . . . 0.0 110.56 174.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -27.3 -56.88 0.1 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 127.1 2.16 . . . . 0.0 114.326 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -137.04 54.83 1.85 Allowed 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 170.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 p30 39.14 -82.44 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.359 2.264 . . . . 0.0 114.562 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -52.99 -38.73 62.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.258 1.023 . . . . 0.0 112.251 176.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -140.62 152.89 45.78 Favored 'General case' 0 C--N 1.34 0.191 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -173.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.5 p -89.9 132.94 33.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 167.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.2 153.46 24.73 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 118.447 0.567 . . . . 0.0 110.003 173.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -44.78 -52.18 8.69 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.294 1.038 . . . . 0.0 113.687 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -55.58 -48.45 74.81 Favored 'General case' 0 C--O 1.232 0.183 0 O-C-N 121.731 -0.606 . . . . 0.0 110.059 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -73.07 -30.29 63.58 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.414 -173.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -55.86 -53.96 50.46 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 168.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 20.5 mm -58.45 -49.67 81.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 118.226 0.467 . . . . 0.0 109.983 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.2 m -52.02 -50.34 61.58 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.521 0.728 . . . . 0.0 110.238 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -62.71 -44.76 95.4 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.202 1.001 . . . . 0.0 110.388 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.7 mt -57.65 -36.4 71.83 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 118.941 0.791 . . . . 0.0 110.425 173.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.65 -50.91 58.27 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 169.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.73 -46.69 77.72 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 117.703 0.752 . . . . 0.0 111.413 176.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.4 tp -57.12 -49.17 76.73 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.216 1.006 . . . . 0.0 109.846 177.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.05 -37.0 81.07 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.197 0.999 . . . . 0.0 110.514 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.554 ' HA ' HD11 ' A' ' 88' ' ' LEU . 32.8 ttp -70.12 -41.28 74.16 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.473 0.709 . . . . 0.0 111.177 176.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.9 mt -58.08 -37.7 63.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 173.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -72.19 60.13 0.41 Allowed 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.345 0.593 . . . . 0.0 111.663 169.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -48.36 -39.2 21.37 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.763 1.225 . . . . 0.0 111.536 171.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -50.0 -50.73 46.16 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.585 0.354 . . . . 0.0 110.271 173.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.92 -47.46 83.15 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.554 HD11 ' HA ' ' A' ' 82' ' ' MET . 41.5 mt -50.43 -51.46 46.49 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 117.676 0.217 . . . . 0.0 111.266 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -68.55 -38.43 80.77 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.157 -0.339 . . . . 0.0 111.644 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 CA-C-O 117.414 -1.77 . . . . 0.0 111.416 177.129 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.4 ttm . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 118.858 -0.591 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 72.86 -42.13 0.52 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.692 1.997 . . . . 0.0 114.237 170.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -39.05 -49.3 4.22 Favored Pre-proline 0 CA--C 1.537 0.471 0 C-N-CA 127.953 2.501 . . . . 0.0 113.927 -174.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -56.58 -42.05 69.46 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.778 2.319 . . . . 0.0 113.39 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.6 tp -80.48 -44.46 19.14 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -49.11 -46.49 44.97 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 123.705 0.802 . . . . 0.0 110.688 -177.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -63.44 -34.26 77.37 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.816 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.78 -50.14 21.99 Favored 'General case' 0 CA--C 1.53 0.173 0 O-C-N 121.581 -0.699 . . . . 0.0 111.265 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 44.1 pt -59.22 -40.2 80.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 119.485 -0.886 . . . . 0.0 109.201 172.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.2 -42.16 48.47 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.207 1.385 . . . . 0.0 112.206 170.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.03 -60.9 2.82 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 118.34 1.07 . . . . 0.0 109.678 178.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 12.2 mt -46.05 -50.71 14.83 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.186 0.994 . . . . 0.0 110.665 175.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mm -56.69 -55.78 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.104 0.961 . . . . 0.0 109.887 178.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.51 -50.25 61.12 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 124.693 1.14 . . . . 0.0 110.351 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.6 mt -55.06 -58.32 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -52.23 -58.13 7.57 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.578 0.228 . . . . 0.0 110.887 -175.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -66.98 -27.03 67.11 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 118.193 -0.908 . . . . 0.0 112.842 -174.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -55.62 -51.2 68.0 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.798 1.181 . . . . 0.0 108.597 169.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -67.95 -42.88 80.26 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.905 -0.569 . . . . 0.0 111.554 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.0 m -54.54 -51.54 64.87 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 119.167 0.894 . . . . 0.0 110.487 173.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.51 -38.73 5.47 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.45 1.024 . . . . 0.0 113.098 -176.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -61.04 -38.43 86.13 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.45 0.7 . . . . 0.0 112.507 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -93.37 -44.09 8.45 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.183 0.993 . . . . 0.0 110.815 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.75 137.09 2.21 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 107.736 -2.146 . . . . 0.0 107.736 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.8 65.33 1.91 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.17 0.985 . . . . 0.0 111.398 -174.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -120.79 165.36 15.25 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.875 1.67 . . . . 0.0 107.786 175.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -81.72 45.87 0.93 Allowed 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.862 -0.524 . . . . 0.0 111.037 -173.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 18.5 p -139.46 152.52 47.08 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.993 1.717 . . . . 0.0 109.255 -171.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.18 129.39 39.71 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 125.332 1.453 . . . . 0.0 108.606 172.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 7.7 m -78.53 151.42 32.51 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 119.171 0.896 . . . . 0.0 109.636 174.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 pptp? -49.23 -46.64 46.18 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.896 1.278 . . . . 0.0 113.981 -168.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -26.62 51.72 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.627 -0.671 . . . . 0.0 110.65 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.18 -41.81 89.74 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 172.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.532 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.6 tm? -56.67 -49.12 75.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 169.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -54.96 -42.98 73.04 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 119.058 -1.057 . . . . 0.0 110.823 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -56.77 -49.71 74.46 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.036 0.534 . . . . 0.0 110.85 174.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 tt -49.16 -52.54 25.85 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 124.18 0.992 . . . . 0.0 109.876 175.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 65.7 mt -60.58 -55.11 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -51.62 -41.44 61.27 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 117.971 0.35 . . . . 0.0 111.705 -175.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -80.85 -53.58 6.35 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.259 0.481 . . . . 0.0 112.255 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -81.26 -28.37 34.78 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -168.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -127.45 67.32 1.3 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.581 1.952 . . . . 0.0 107.764 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 29.9 p -48.0 99.88 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.1 1.36 . . . . 0.0 112.172 -175.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 tp -76.36 68.79 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 123.737 0.815 . . . . 0.0 110.339 -175.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.84 -41.87 36.76 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.441 1.02 . . . . 0.0 111.142 177.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 6.7 m -69.17 63.87 0.14 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.776 1.23 . . . . 0.0 111.02 172.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -56.43 -26.38 53.39 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.497 1.119 . . . . 0.0 112.929 -170.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -50.8 -37.53 43.07 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.324 0.65 . . . . 0.0 110.932 172.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -73.1 0.93 10.14 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.86 0.864 . . . . 0.0 112.586 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -55.19 -33.33 62.91 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 120.049 1.295 . . . . 0.0 111.577 178.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.79 -48.89 69.36 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.333 0.587 . . . . 0.0 110.946 170.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.87 -41.44 99.39 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 37.4 mm -55.11 -47.76 76.87 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.247 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.984 174.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.286 12.1 m -67.24 -37.03 78.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 120.049 1.295 . . . . 0.0 112.526 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -58.12 -51.44 69.71 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.065 0.848 . . . . 0.0 110.297 171.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.7 -44.91 73.83 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.996 1.318 . . . . 0.0 110.908 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.3 tmm? -60.24 -45.81 91.97 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.469 1.108 . . . . 0.0 109.655 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -55.76 -49.84 72.03 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.008 0.367 . . . . 0.0 110.204 173.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -57.74 -45.44 85.84 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.728 0.411 . . . . 0.0 111.351 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 mt -57.6 -58.67 7.28 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.372 0.669 . . . . 0.0 110.052 173.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.97 -17.48 60.53 Favored 'General case' 0 N--CA 1.462 0.148 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -169.382 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -39.13 23.43 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.995 0.918 . . . . 0.0 109.779 173.107 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -31.27 -62.05 0.19 Allowed 'General case' 0 C--N 1.344 0.332 0 C-N-CA 125.954 1.701 . . . . 0.0 112.868 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -129.09 61.39 1.53 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 172.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 26.53 73.91 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 127.005 2.122 . . . . 0.0 113.898 170.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 102.72 -12.63 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 128.312 2.645 . . . . 0.0 112.365 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -114.42 134.76 54.76 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.065 0.946 . . . . 0.0 110.295 170.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 t -99.05 115.55 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 127.231 2.212 . . . . 0.0 106.557 171.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -79.87 146.11 32.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 119.229 0.922 . . . . 0.0 109.326 170.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -39.85 -51.37 2.43 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.665 1.186 . . . . 0.0 113.521 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -55.48 -44.12 76.18 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.638 -0.664 . . . . 0.0 111.042 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -76.65 -32.46 58.0 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.802 0.441 . . . . 0.0 111.012 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -54.34 -52.67 60.83 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 168.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.1 mm -58.57 -52.86 54.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 O-C-N 122.055 -0.403 . . . . 0.0 110.682 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 32.2 m -50.99 -48.99 61.15 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.326 0.584 . . . . 0.0 110.719 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -63.56 -44.48 94.0 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.303 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 78.0 mt -56.64 -36.46 69.52 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.084 0.856 . . . . 0.0 110.337 173.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.45 -51.08 58.58 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 169.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.4 -42.39 82.16 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 117.924 0.862 . . . . 0.0 111.645 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.5 tp -58.64 -48.61 80.43 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.438 1.095 . . . . 0.0 109.438 177.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.79 -44.2 81.66 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.889 0.476 . . . . 0.0 110.416 173.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 33.7 ttp -61.82 -40.34 94.94 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.855 0.462 . . . . 0.0 111.352 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 86.5 mt -59.39 -44.41 92.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 171.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -71.98 60.05 0.38 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.981 0.912 . . . . 0.0 112.335 175.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -42.26 -41.97 2.94 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 127.054 2.142 . . . . 0.0 111.62 170.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -52.88 -50.82 63.07 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.269 1.028 . . . . 0.0 110.028 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.12 -43.86 94.02 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.874 0.469 . . . . 0.0 110.005 177.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 60.5 mt -50.47 -51.77 44.14 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 117.911 0.323 . . . . 0.0 110.683 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.93 -45.39 74.44 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 110.544 -0.169 . . . . 0.0 110.544 178.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.067 -1.963 . . . . 0.0 110.922 176.042 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.3 mtp . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.11 -60.42 0.37 Allowed 'General case' 0 C--N 1.341 0.199 0 C-N-CA 129.397 3.079 . . . . 0.0 111.499 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -38.58 -48.46 3.56 Favored Pre-proline 0 N--CA 1.449 -0.5 0 C-N-CA 128.251 2.621 . . . . 0.0 112.797 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -59.66 -34.72 96.29 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 121.908 1.739 . . . . 0.0 113.814 -177.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.9 tp -81.91 -46.19 14.4 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 171.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -50.34 -45.62 55.13 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 123.427 0.691 . . . . 0.0 110.885 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -55.84 -42.65 76.1 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 120.605 0.24 . . . . 0.0 111.254 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.49 -52.0 25.05 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.986 -0.446 . . . . 0.0 110.233 -173.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.0 pt -57.54 -43.24 82.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 119.715 -0.794 . . . . 0.0 109.074 173.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.52 -45.1 17.07 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 125.177 1.37 . . . . 0.0 112.052 171.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.48 -60.64 3.35 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.882 0.873 . . . . 0.0 110.592 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mp -51.47 -49.61 61.45 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.667 0.787 . . . . 0.0 109.599 177.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.1 mt -57.94 -50.7 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.571 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.36 -55.19 31.76 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.0 mt -46.94 -52.77 3.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.342 0.657 . . . . 0.0 109.288 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -60.89 -55.84 28.18 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.383 0.611 . . . . 0.0 111.919 -177.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -68.44 -29.57 68.26 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.927 -0.559 . . . . 0.0 111.513 -170.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -57.66 -53.98 52.01 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.839 0.745 . . . . 0.0 109.965 170.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -65.4 -36.89 85.31 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 122.092 -0.38 . . . . 0.0 111.89 -177.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.9 m -59.06 -52.94 63.59 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.156 0.503 . . . . 0.0 109.77 172.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.32 -39.42 72.18 Favored Glycine 0 CA--C 1.523 0.577 0 C-N-CA 124.849 1.214 . . . . 0.0 111.428 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -49.67 -34.88 19.73 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.548 0.739 . . . . 0.0 112.076 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -114.39 29.12 8.24 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.654 0.781 . . . . 0.0 111.299 176.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.49 32.02 60.62 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.172 0.891 . . . . 0.0 113.676 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -111.41 162.57 14.92 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 171.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -109.78 -80.95 0.58 Allowed 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 123.546 0.738 . . . . 0.0 110.616 -176.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -102.47 26.62 7.65 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.544 0.738 . . . . 0.0 110.999 -169.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.3 m -155.34 150.3 26.67 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -149.69 155.93 41.03 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.816 0.735 . . . . 0.0 110.932 173.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.2 t -78.05 154.68 31.18 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 124.171 0.988 . . . . 0.0 111.695 -168.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -49.8 -49.29 49.19 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.929 0.892 . . . . 0.0 113.065 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -70.44 -32.52 70.13 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.029 -1.044 . . . . 0.0 110.54 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.65 -40.52 97.05 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 174.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.489 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.4 tm? -58.14 -48.98 78.56 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.326 0.65 . . . . 0.0 109.545 171.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -52.36 -48.63 65.43 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.107 173.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -58.21 -35.63 71.95 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.071 0.548 . . . . 0.0 112.048 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.84 -58.97 6.24 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.029 0.932 . . . . 0.0 109.407 170.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.8 mt -54.68 -52.21 43.71 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-O 119.111 -0.471 . . . . 0.0 110.611 -176.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -58.87 -31.01 68.17 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 119.05 0.841 . . . . 0.0 112.073 -175.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -80.45 -43.36 21.05 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 119.16 0.891 . . . . 0.0 112.033 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -75.39 -67.0 0.7 Allowed 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 122.373 1.083 . . . . 0.0 109.138 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -84.76 76.61 10.2 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 124.866 1.266 . . . . 0.0 107.625 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.1 p -67.69 75.08 0.18 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.293 1.037 . . . . 0.0 111.3 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.0 pt -64.82 108.27 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 123.307 0.643 . . . . 0.0 110.324 175.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -43.45 125.74 5.17 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.495 1.045 . . . . 0.0 111.311 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.2 m 48.87 30.09 2.57 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.119 1.368 . . . . 0.0 113.358 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp 55.2 28.97 11.89 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.165 0.986 . . . . 0.0 112.61 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.2 132.44 53.94 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 174.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 72.74 22.58 3.13 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.311 1.845 . . . . 0.0 112.995 -174.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -48.03 -41.01 24.59 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 121.265 -0.897 . . . . 0.0 112.352 171.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.01 -47.6 61.6 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.173 0.589 . . . . 0.0 111.092 174.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -65.59 -41.17 93.15 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.5 mm -55.1 -46.5 77.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.043 174.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.263 13.6 m -71.38 -32.7 47.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 120.474 1.488 . . . . 0.0 112.86 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -59.27 -51.26 70.74 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.513 1.051 . . . . 0.0 109.714 169.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.12 -42.46 80.92 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.146 0.978 . . . . 0.0 110.952 176.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 62.0 ttp -58.26 -49.89 75.51 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.517 1.127 . . . . 0.0 108.755 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -53.1 -50.13 65.06 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 175.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -58.93 -42.06 88.85 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.913 -0.492 . . . . 0.0 112.032 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 mt -64.45 -52.77 56.33 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.413 0.685 . . . . 0.0 111.161 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -71.91 -30.67 65.6 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.073 0.549 . . . . 0.0 112.223 -173.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -49.18 -42.02 38.59 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 123.776 0.83 . . . . 0.0 110.673 -173.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -53.08 -27.24 19.28 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.542 1.137 . . . . 0.0 112.582 -177.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -141.85 51.28 1.53 Allowed 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 167.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 p30 42.88 -89.93 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.07 2.148 . . . . 0.0 114.847 176.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -70.32 -25.56 63.37 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.375 1.47 . . . . 0.0 111.699 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -136.51 156.32 48.75 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.636 0.774 . . . . 0.0 110.726 -168.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.5 p -100.34 126.02 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 170.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -82.19 147.03 29.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 173.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -43.02 -51.78 5.55 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.693 1.197 . . . . 0.0 113.455 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -58.91 -40.11 83.53 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.506 -0.747 . . . . 0.0 110.46 -178.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -73.92 -37.08 64.72 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 123.736 0.815 . . . . 0.0 109.595 -176.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -55.13 -54.63 40.81 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.36 0.664 . . . . 0.0 109.919 169.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.8 mm -55.8 -54.76 22.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.9 m -49.64 -49.9 45.25 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 123.472 0.709 . . . . 0.0 111.047 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -64.85 -42.44 94.9 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 118.983 -0.532 . . . . 0.0 110.73 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.4 mt -57.3 -36.7 71.41 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.757 1.162 . . . . 0.0 110.074 172.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.09 -50.38 64.78 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 169.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.67 -47.71 73.27 Favored 'General case' 0 C--O 1.224 -0.256 0 O-C-N 121.97 -0.723 . . . . 0.0 110.897 175.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.4 tp -57.47 -47.62 81.39 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.941 1.297 . . . . 0.0 109.773 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.517 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -57.96 -44.48 87.07 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.668 0.787 . . . . 0.0 110.701 177.081 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.1 ttp -61.6 -47.66 84.47 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.9 mt -60.58 -33.82 56.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 125.04 1.336 . . . . 0.0 111.026 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -50.88 -36.91 40.49 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.017 0.826 . . . . 0.0 110.752 171.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 65.76 -67.25 0.14 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 127.655 2.382 . . . . 0.0 111.264 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -54.72 -35.08 63.29 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.079 1.352 . . . . 0.0 110.932 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.67 -35.97 69.02 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.823 0.449 . . . . 0.0 112.178 175.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.92 -59.13 2.69 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -57.29 -42.16 81.2 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.739 0.815 . . . . 0.0 111.911 -168.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 116.9 -2.055 . . . . 0.0 110.57 175.173 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ptp . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 121.708 0.766 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.82 -48.98 11.68 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.773 0.829 . . . . 0.0 110.285 -175.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -44.66 -45.45 24.09 Favored Pre-proline 0 N--CA 1.45 -0.454 0 C-N-CA 126.075 1.75 . . . . 0.0 114.185 -174.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -54.22 -44.23 51.29 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.163 2.576 . . . . 0.0 112.998 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 56.0 tp -74.43 -49.56 21.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 119.422 -0.911 . . . . 0.0 109.281 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -53.9 -43.86 70.05 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 119.537 -0.268 . . . . 0.0 111.272 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -63.94 -37.89 89.06 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.45 0.568 . . . . 0.0 111.634 176.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.48 -53.89 36.12 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.791 -0.568 . . . . 0.0 110.632 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 26.8 pt -57.44 -42.15 80.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 174.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.94 -45.77 9.26 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 125.226 1.393 . . . . 0.0 112.678 169.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.89 -59.83 4.64 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.096 0.958 . . . . 0.0 109.715 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -53.18 -46.26 68.87 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.601 0.76 . . . . 0.0 110.294 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.517 HD11 ' HB1' ' A' ' 81' ' ' ALA . 57.1 mt -59.59 -52.87 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.772 0.829 . . . . 0.0 109.761 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.71 -55.37 30.35 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 mt -50.18 -48.54 24.07 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -62.83 -65.73 0.64 Allowed 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.42 0.628 . . . . 0.0 111.71 -178.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.85 -24.63 65.28 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -166.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -60.48 -46.07 91.42 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.196 0.907 . . . . 0.0 109.895 169.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -67.68 -44.63 77.35 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.942 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 35.0 m -49.36 -46.18 46.77 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 119.208 0.913 . . . . 0.0 110.347 170.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -43.7 -31.26 1.74 Allowed Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.633 1.587 . . . . 0.0 113.891 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -54.32 -40.8 68.32 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.054 0.927 . . . . 0.0 111.294 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -94.59 -40.5 9.81 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.24 1.016 . . . . 0.0 110.999 174.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.46 176.48 38.25 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 176.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -76.49 48.26 0.53 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.025 0.93 . . . . 0.0 111.146 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -95.31 135.23 37.17 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.683 1.593 . . . . 0.0 107.427 -176.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -80.58 49.26 1.15 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.736 0.779 . . . . 0.0 110.328 -179.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 4.4 t -157.77 158.07 34.58 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 127.423 2.289 . . . . 0.0 105.758 -177.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 tt -148.6 129.33 14.17 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -168.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 7.9 p -78.72 166.44 22.48 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.93 0.786 . . . . 0.0 112.702 -169.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -60.64 -57.87 10.88 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -169.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -69.51 -33.08 72.31 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.318 -0.864 . . . . 0.0 110.001 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -59.02 -45.15 91.43 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.835 0.854 . . . . 0.0 109.792 174.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.487 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.5 tm? -57.94 -49.71 75.84 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.522 0.729 . . . . 0.0 109.115 170.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -52.71 -42.94 65.31 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.281 -0.887 . . . . 0.0 110.712 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -65.55 -39.42 91.69 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.256 1.422 . . . . 0.0 111.793 177.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tt -53.6 -53.49 51.0 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 169.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 52.9 mt -58.67 -52.98 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-O 118.929 -0.557 . . . . 0.0 109.71 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -56.94 -37.99 72.29 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.867 0.758 . . . . 0.0 111.448 -174.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -75.85 -59.85 2.58 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.088 176.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -74.49 -52.06 13.02 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.007 0.432 . . . . 0.0 111.2 -168.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -93.41 68.18 4.12 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.76 79.17 0.07 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.864 0.865 . . . . 0.0 111.699 -171.206 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 27.7 mm -48.87 -43.87 14.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 125.962 1.705 . . . . 0.0 112.295 -170.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.44 -62.61 2.27 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 -170.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.5 m -71.01 61.19 0.27 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.61 1.564 . . . . 0.0 111.868 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -60.17 -10.93 5.03 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.963 0.905 . . . . 0.0 112.313 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.431 HD22 ' H ' ' B' ' 48' ' ' LEU . 3.2 mm? -50.23 -30.73 12.25 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.418 -0.801 . . . . 0.0 110.386 168.188 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -70.7 10.68 0.47 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.076 0.951 . . . . 0.0 113.475 175.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -44.32 -47.39 9.54 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 125.057 1.343 . . . . 0.0 112.196 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.38 -45.81 62.6 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.129 0.571 . . . . 0.0 111.137 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -65.11 -44.72 87.85 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 36.6 mm -55.78 -47.31 79.61 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 CA-C-O 118.734 -0.651 . . . . 0.0 110.469 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.263 17.4 m -72.74 -31.47 36.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 119.423 1.011 . . . . 0.0 112.728 -177.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -61.05 -50.76 72.02 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.732 1.151 . . . . 0.0 109.402 169.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 tt -54.18 -45.26 72.07 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.416 0.686 . . . . 0.0 111.029 175.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 60.3 ttp -57.57 -53.12 61.74 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 124.6 1.16 . . . . 0.0 108.848 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.02 -51.96 37.9 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 123.516 0.726 . . . . 0.0 110.117 175.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -58.31 -45.44 88.03 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 122.028 -0.42 . . . . 0.0 111.721 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.3 mt -57.96 -66.06 0.54 Allowed 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 172.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.04 -17.75 63.94 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -168.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 31.4 ttp-105 -57.58 -30.9 65.65 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.283 0.492 . . . . 0.0 110.287 173.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -52.37 -35.95 52.55 Favored 'General case' 0 C--N 1.341 0.228 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -177.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -130.68 51.01 2.16 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 168.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 40.15 20.8 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 129.472 3.109 . . . . 0.0 116.893 169.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 170.3 -37.15 0.0 OUTLIER 'General case' 0 C--O 1.234 0.27 0 C-N-CA 125.122 1.369 . . . . 0.0 109.245 -168.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -122.72 156.16 34.98 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.652 0.781 . . . . 0.0 110.362 173.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 7.8 p -98.19 126.18 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 168.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -81.39 144.23 31.58 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -46.07 -60.96 1.97 Allowed 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -169.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -52.24 -42.16 63.38 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.238 0.542 . . . . 0.0 110.577 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -70.99 -34.57 71.51 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.595 0.758 . . . . 0.0 110.522 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.12 -47.36 83.53 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 169.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.5 mm -57.88 -51.93 64.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 85.9 m -49.15 -49.02 44.3 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 121.612 -0.68 . . . . 0.0 111.468 174.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.71 -45.21 92.83 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 119.441 -0.314 . . . . 0.0 110.322 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 78.6 mt -58.59 -35.37 72.32 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.914 0.779 . . . . 0.0 110.935 173.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.44 -50.6 63.65 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 169.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.39 -41.15 79.71 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.796 -0.826 . . . . 0.0 110.777 174.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.0 tp -61.62 -44.98 95.97 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.816 0.846 . . . . 0.0 110.059 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.55 -50.75 67.16 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.584 0.753 . . . . 0.0 110.114 172.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 10.6 tpt -55.88 -45.88 78.45 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 60.6 mt -64.83 -45.36 95.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 C-N-CA 124.414 1.085 . . . . 0.0 110.403 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -53.83 -41.99 67.99 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.28 0.491 . . . . 0.0 109.85 175.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 9.7 t30 71.21 -60.47 0.51 Allowed 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 125.675 1.59 . . . . 0.0 113.295 168.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -50.1 -44.23 51.95 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.604 0.762 . . . . 0.0 109.86 176.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.23 -43.25 10.18 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.516 1.126 . . . . 0.0 112.208 173.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 26.2 mt -61.91 -40.41 95.37 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 123.617 0.767 . . . . 0.0 110.481 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -71.88 -42.88 66.28 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.415 -1.769 . . . . 0.0 110.325 174.566 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 120.437 0.161 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.18 -63.09 1.01 Allowed 'General case' 0 C--N 1.339 0.147 0 C-N-CA 124.344 1.058 . . . . 0.0 111.587 -176.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -60.14 6.58 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-O 117.504 -1.236 . . . . 0.0 111.54 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -39.62 -53.96 2.1 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 124.34 3.36 . . . . 0.0 115.206 172.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.9 tp -68.1 -50.27 55.99 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 117.956 -1.498 . . . . 0.0 110.493 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -51.48 -47.24 63.26 Favored 'General case' 0 CA--C 1.527 0.071 0 C-N-CA 123.64 0.776 . . . . 0.0 110.917 -176.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -64.89 -38.6 91.5 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 122.05 -0.406 . . . . 0.0 111.067 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.43 -54.45 36.35 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.753 -0.592 . . . . 0.0 111.234 178.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.4 pt -57.8 -42.92 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.11 -47.06 8.16 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 125.339 1.447 . . . . 0.0 112.36 169.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.59 -58.53 7.64 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.302 1.041 . . . . 0.0 109.833 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -53.77 -46.77 71.07 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 123.352 0.661 . . . . 0.0 110.189 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.424 HD11 ' HB1' ' B' ' 81' ' ' ALA . 43.6 mt -63.2 -48.82 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 122.855 0.462 . . . . 0.0 109.774 -176.165 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.8 -51.72 57.41 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.4 mt -51.33 -49.99 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 117.148 0.474 . . . . 0.0 109.782 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -58.04 -61.16 2.75 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.136 0.493 . . . . 0.0 110.522 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -65.91 -29.85 70.34 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -169.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -53.7 -44.18 69.57 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 171.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -78.61 -39.67 36.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 118.569 -0.729 . . . . 0.0 111.505 179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 m -52.55 -33.92 47.79 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.593 1.088 . . . . 0.0 111.577 169.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.89 -39.39 8.67 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.14 0.876 . . . . 0.0 112.43 171.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -59.65 -33.33 71.4 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.802 -0.822 . . . . 0.0 110.958 178.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -103.81 44.63 1.01 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.728 1.211 . . . . 0.0 109.487 170.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.53 -72.86 2.58 Favored Glycine 0 CA--C 1.525 0.666 0 O-C-N 121.612 -0.68 . . . . 0.0 111.606 172.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -176.18 -42.18 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.363 0.665 . . . . 0.0 112.06 -171.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -35.59 136.48 0.23 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 126.848 2.059 . . . . 0.0 112.496 -176.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -74.23 57.76 0.68 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.715 1.606 . . . . 0.0 112.796 -169.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 p -145.19 163.53 34.11 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 127.552 2.341 . . . . 0.0 106.637 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 tt -147.04 124.58 11.72 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -178.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.2 t -79.69 179.21 7.64 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -172.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -67.9 -69.98 0.29 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.318 1.047 . . . . 0.0 110.948 -169.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -62.96 -33.32 75.12 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.479 -0.763 . . . . 0.0 109.797 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -54.73 -47.73 73.42 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.796 0.839 . . . . 0.0 110.183 173.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.468 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.9 tm? -58.42 -52.97 63.39 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.15 0.58 . . . . 0.0 110.355 175.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.2 ptmm? -62.0 -31.03 71.37 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 117.214 -1.794 . . . . 0.0 111.254 -177.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.07 -51.6 68.95 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.864 0.466 . . . . 0.0 110.133 170.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -46.07 -55.31 7.11 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.662 0.785 . . . . 0.0 109.198 173.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.8 mt -59.32 -46.89 92.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 122.583 0.353 . . . . 0.0 111.397 -177.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -60.8 -40.1 91.42 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.612 -0.68 . . . . 0.0 111.53 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -69.47 -53.02 21.27 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.141 0.882 . . . . 0.0 111.685 176.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -80.62 -45.32 17.48 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -168.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.0 mt -93.85 -46.27 7.27 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.272 0.629 . . . . 0.0 110.779 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 m 63.67 65.55 0.72 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.775 0.797 . . . . 0.0 111.256 172.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.551 HD12 ' H ' ' A' ' 44' ' ' ILE . 4.5 mp -71.48 86.69 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 176.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.81 -36.53 6.63 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.718 1.151 . . . . 0.0 112.294 175.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 t -70.64 64.01 0.29 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.936 0.894 . . . . 0.0 110.333 171.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -62.74 -12.96 27.33 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.403 -0.811 . . . . 0.0 112.562 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.4 mt -50.66 -33.26 21.77 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.734 -0.604 . . . . 0.0 110.241 168.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -77.15 13.24 1.17 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.973 0.909 . . . . 0.0 112.815 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -48.18 -41.51 27.21 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 119.869 1.213 . . . . 0.0 112.015 176.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.18 -47.54 54.49 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.325 0.65 . . . . 0.0 111.221 173.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -64.94 -41.87 95.13 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.4 mm -56.22 -48.64 79.11 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-O 118.944 -0.551 . . . . 0.0 110.401 175.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.3 m -70.04 -33.0 53.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 119.588 1.086 . . . . 0.0 112.143 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -59.52 -52.18 66.69 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.014 0.824 . . . . 0.0 109.964 170.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tt -55.11 -45.5 75.49 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.034 0.934 . . . . 0.0 110.849 176.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.8 ttp -56.15 -53.01 62.26 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.674 1.19 . . . . 0.0 108.763 177.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -51.65 -50.61 60.0 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -61.5 -29.65 70.12 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -178.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mt -71.33 -59.9 2.52 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.487 0.715 . . . . 0.0 110.578 171.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -65.27 -34.09 77.52 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.523 -0.736 . . . . 0.0 112.838 -173.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.3 ttp85 -44.22 -44.73 8.07 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 125.821 1.648 . . . . 0.0 111.047 -176.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -52.95 -31.14 38.71 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.725 0.81 . . . . 0.0 112.334 -175.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -135.28 50.4 2.14 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 168.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.2 p30 45.89 -85.47 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 127.407 2.283 . . . . 0.0 114.392 176.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -76.34 -36.98 57.95 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.045 0.938 . . . . 0.0 111.452 -170.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -128.33 154.06 46.35 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 124.452 1.101 . . . . 0.0 108.949 -176.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 p -90.95 130.29 40.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 166.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -82.56 150.82 26.7 Favored 'General case' 0 N--CA 1.458 -0.052 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -39.79 -55.19 2.0 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.854 1.262 . . . . 0.0 113.771 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -61.9 -41.66 98.17 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 121.183 -0.948 . . . . 0.0 110.689 -177.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -66.69 -36.65 83.0 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 122.318 -0.239 . . . . 0.0 110.65 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.72 -50.64 72.54 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.803 0.441 . . . . 0.0 110.233 170.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.6 mm -57.09 -53.22 46.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-N 118.64 0.654 . . . . 0.0 110.124 177.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.6 m -51.13 -48.12 61.86 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.749 -0.595 . . . . 0.0 111.296 176.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -60.59 -45.42 94.03 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.236 -0.29 . . . . 0.0 110.435 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.0 mt -58.41 -35.41 72.01 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.81 0.732 . . . . 0.0 110.576 174.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.1 -51.84 54.99 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 169.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.58 -46.31 77.27 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.732 -0.863 . . . . 0.0 110.844 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.5 tp -57.89 -45.49 86.34 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.279 1.031 . . . . 0.0 110.409 178.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.9 -45.49 78.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 121.979 -0.451 . . . . 0.0 110.011 172.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.1 ttp -60.11 -39.58 86.69 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 119.165 -0.445 . . . . 0.0 111.581 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 34.6 mm -55.22 -48.83 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 119.18 0.9 . . . . 0.0 108.743 169.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -71.92 39.44 0.07 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.397 1.079 . . . . 0.0 112.721 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -35.72 -42.68 0.26 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 128.329 2.652 . . . . 0.0 113.991 177.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -49.46 -41.43 40.28 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.413 0.685 . . . . 0.0 112.107 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.24 77.34 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.455 0.702 . . . . 0.0 111.655 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.8 mp -80.98 -53.08 6.74 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.568 0.747 . . . . 0.0 109.244 -174.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -77.32 -27.09 52.76 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -175.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.344 0 CA-C-O 117.821 -1.544 . . . . 0.0 111.056 -174.168 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptm . . . . . 0 N--CA 1.475 0.793 0 CA-C-O 120.736 0.303 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.71 -64.26 0.38 Allowed 'General case' 0 C--N 1.339 0.116 0 C-N-CA 128.756 2.822 . . . . 0.0 110.195 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -38.84 -48.93 3.94 Favored Pre-proline 0 N--CA 1.447 -0.599 0 C-N-CA 128.35 2.66 . . . . 0.0 113.655 -177.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.99 -46.47 13.12 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.992 1.795 . . . . 0.0 112.76 -174.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 42.3 tp -77.82 -44.98 25.72 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -50.66 -47.65 58.57 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.891 0.876 . . . . 0.0 110.767 -177.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -62.24 -39.04 91.52 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.145 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.1 -52.21 37.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.092 -0.38 . . . . 0.0 110.98 -177.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 37.1 pt -57.55 -47.19 85.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 174.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.49 -46.37 5.64 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.931 1.253 . . . . 0.0 112.219 171.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.456 ' CD1' HD12 ' B' ' 15' ' ' ILE . 0.3 OUTLIER -54.91 -59.38 4.82 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.061 0.945 . . . . 0.0 110.541 177.723 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mp -54.23 -46.22 72.49 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.397 0.679 . . . . 0.0 110.625 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.98 -48.31 89.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -176.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.78 -56.64 24.07 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.456 HD12 ' CD1' ' B' ' 11' ' ' LEU . 5.0 mt -49.43 -44.53 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 123.686 0.795 . . . . 0.0 110.869 177.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -62.08 -62.5 1.74 Allowed 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.2 0.524 . . . . 0.0 111.064 177.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -67.29 -28.75 68.28 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 122.065 -0.397 . . . . 0.0 112.006 -169.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -49.36 -45.79 46.21 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 124.914 1.286 . . . . 0.0 109.263 168.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -76.98 -54.08 7.01 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.689 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.4 m -46.36 -48.27 18.5 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.722 1.146 . . . . 0.0 111.948 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.0 -38.32 46.88 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 124.452 1.025 . . . . 0.0 113.108 178.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -45.46 -47.25 13.94 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 124.698 1.199 . . . . 0.0 111.72 -175.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -115.01 22.79 13.08 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.294 1.038 . . . . 0.0 110.451 -177.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.0 35.41 48.62 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.709 0.671 . . . . 0.0 112.883 -178.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -75.2 156.29 35.98 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 173.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -81.72 -143.13 0.05 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.792 0.837 . . . . 0.0 109.482 -175.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -77.35 49.34 0.7 Allowed 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.755 -1.216 . . . . 0.0 110.059 173.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.74 158.04 43.82 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 127.204 2.201 . . . . 0.0 107.556 -169.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 89.2 mt -135.27 136.69 41.87 Favored 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 170.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.0 m -78.3 154.1 31.18 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 170.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -61.42 -42.15 98.3 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 120.891 -1.13 . . . . 0.0 113.622 -169.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -68.79 -39.3 80.23 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.019 -1.051 . . . . 0.0 111.093 178.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -56.39 -48.12 77.56 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.579 HD13 ' C ' ' B' ' 34' ' ' LEU . 0.7 OUTLIER -55.83 -44.41 77.91 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.773 0.829 . . . . 0.0 110.049 172.111 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 67.5 tttt -53.65 -46.96 70.74 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 120.635 -1.291 . . . . 0.0 109.876 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.82 -36.85 82.37 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.544 0.738 . . . . 0.0 111.701 177.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.8 -56.71 17.28 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 169.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 51.9 mt -57.22 -47.57 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 119.235 -0.412 . . . . 0.0 110.521 -176.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -57.56 -39.07 75.86 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.602 0.637 . . . . 0.0 111.296 -174.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -81.36 -56.2 4.21 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.203 0.525 . . . . 0.0 111.277 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -80.48 -26.0 38.49 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.469 1.508 . . . . 0.0 114.132 -167.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 59.7 mt -114.12 73.69 0.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 105.104 -2.184 . . . . 0.0 105.104 168.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.8 61.03 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.583 2.353 . . . . 0.0 113.831 -168.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.19 104.09 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 O-C-N 121.067 -1.02 . . . . 0.0 109.359 174.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.96 58.1 2.67 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.121 0.867 . . . . 0.0 111.567 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.5 m -178.09 75.25 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 128.742 2.817 . . . . 0.0 105.048 -178.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -75.24 77.91 2.36 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -176.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 47.6 tp -143.74 -31.62 0.46 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.6 -1.182 . . . . 0.0 112.757 -166.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -78.02 38.68 0.28 Allowed 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.417 -0.802 . . . . 0.0 110.353 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -55.2 -45.0 75.85 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.466 1.106 . . . . 0.0 110.762 -169.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.34 -46.54 62.69 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.034 0.933 . . . . 0.0 111.041 175.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -66.54 -43.55 84.82 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 41.4 mm -55.19 -49.07 75.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 118.654 -0.688 . . . . 0.0 110.197 174.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.276 16.7 m -70.4 -33.2 52.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 120.024 1.284 . . . . 0.0 112.945 -177.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -57.76 -50.55 72.88 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.386 0.994 . . . . 0.0 109.144 169.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tt -56.6 -42.05 78.08 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.812 -0.555 . . . . 0.0 111.277 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.445 ' HG2' HD12 ' B' ' 34' ' ' LEU . 60.9 mtp -58.94 -48.5 81.27 Favored 'General case' 0 C--O 1.221 -0.432 0 O-C-N 121.48 -0.763 . . . . 0.0 110.067 175.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -52.83 -50.57 63.45 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 175.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -57.39 -43.04 83.34 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 122.82 0.448 . . . . 0.0 112.043 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.32 -57.29 10.85 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.564 0.62 . . . . 0.0 110.749 173.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.39 -9.84 51.04 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.688 1.195 . . . . 0.0 113.038 -172.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 21.4 mmt-85 -35.63 -42.8 0.25 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.184 0.994 . . . . 0.0 110.169 166.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -32.64 -60.46 0.3 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.221 1.409 . . . . 0.0 113.861 169.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -163.99 60.67 0.16 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.52 0.728 . . . . 0.0 111.541 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 49.99 -63.7 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 129.756 3.222 . . . . 0.0 116.817 168.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -81.37 -34.39 31.74 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.787 1.235 . . . . 0.0 110.09 175.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -135.69 157.67 46.28 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -168.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 t -101.85 145.85 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 128.091 2.556 . . . . 0.0 106.848 172.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -111.35 146.35 37.26 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.812 0.845 . . . . 0.0 108.79 171.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -39.83 -57.04 1.65 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.631 1.572 . . . . 0.0 114.374 -171.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -57.78 -39.3 77.16 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.313 -0.867 . . . . 0.0 111.333 -178.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -74.7 -35.48 62.72 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.418 0.687 . . . . 0.0 109.246 -177.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -55.96 -52.9 62.54 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 169.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 25.1 mm -55.94 -52.49 48.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 89.2 m -52.96 -46.34 68.15 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.745 0.418 . . . . 0.0 111.283 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -62.96 -43.85 97.65 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 121.962 -0.461 . . . . 0.0 110.501 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 73.7 mt -57.03 -32.04 65.76 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.211 0.914 . . . . 0.0 110.362 172.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.98 -51.69 57.78 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 168.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.48 -46.9 73.49 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.202 -1.175 . . . . 0.0 111.149 174.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 6.9 tp -58.42 -43.18 88.57 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.282 -0.886 . . . . 0.0 110.235 177.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.424 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -58.55 -35.4 72.27 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 121.688 -0.632 . . . . 0.0 111.199 172.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 90.0 mtp -66.03 -41.28 91.11 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.89 0.768 . . . . 0.0 111.602 170.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 45.1 mm -55.1 -39.27 49.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 118.518 0.599 . . . . 0.0 109.734 171.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -72.4 57.96 0.39 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 122.424 1.107 . . . . 0.0 109.853 170.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -47.6 -35.8 9.79 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 127.345 2.258 . . . . 0.0 111.473 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.8 mp0 -57.84 -45.64 85.94 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.448 0.699 . . . . 0.0 109.652 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.57 -41.26 79.97 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 122.976 0.511 . . . . 0.0 109.989 177.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 37.1 mt -53.09 -47.53 68.49 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.749 0.704 . . . . 0.0 110.996 173.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -64.12 -45.4 88.73 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.844 -1.531 . . . . 0.0 111.64 175.961 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.8 mtm . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 120.789 0.328 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.11 -62.33 0.36 Allowed 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 130.469 3.507 . . . . 0.0 110.685 176.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.03 -50.18 4.19 Favored Pre-proline 0 N--CA 1.45 -0.434 0 C-N-CA 127.63 2.372 . . . . 0.0 112.922 -177.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -60.57 -33.92 93.07 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.223 1.948 . . . . 0.0 113.6 -176.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.0 tp -81.8 -45.86 14.99 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 172.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -50.11 -46.92 54.12 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 124.091 0.956 . . . . 0.0 110.778 -175.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -55.02 -42.43 72.58 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.614 0.245 . . . . 0.0 111.441 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.43 -52.78 19.8 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.929 -0.482 . . . . 0.0 110.332 -173.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.8 pt -57.35 -42.31 80.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.86 -46.95 19.46 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 125.329 1.442 . . . . 0.0 112.162 171.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.67 -60.2 3.78 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.878 0.871 . . . . 0.0 110.259 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mp -53.26 -45.2 68.71 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.644 0.777 . . . . 0.0 110.299 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.536 HD11 ' HB1' ' B' ' 81' ' ' ALA . 50.2 mt -63.5 -48.35 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 122.705 0.402 . . . . 0.0 110.186 -177.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.72 -52.71 51.52 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.6 mt -50.86 -53.18 14.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -56.71 -57.69 11.33 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.257 0.551 . . . . 0.0 111.649 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -78.38 -16.83 57.25 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -168.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -56.9 -54.83 42.1 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 168.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -70.9 -42.24 70.2 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.742 -178.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m -65.27 -32.55 74.28 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.386 -0.821 . . . . 0.0 110.953 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.53 -48.19 75.9 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 170.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -45.71 -48.26 15.16 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.968 0.907 . . . . 0.0 111.793 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -75.97 67.43 2.33 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.694 0.759 . . . . 0.0 110.394 173.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.52 -69.93 1.4 Allowed Glycine 0 CA--C 1.527 0.816 0 C-N-CA 125.142 1.353 . . . . 0.0 111.885 175.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.1 t0 172.07 85.6 0.0 OUTLIER 'General case' 0 C--O 1.23 0.052 0 C-N-CA 127.135 2.174 . . . . 0.0 107.557 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.26 161.45 18.97 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 174.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -113.74 30.41 7.26 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.405 1.082 . . . . 0.0 108.778 169.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.6 t -155.71 140.46 17.09 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 105.176 -2.157 . . . . 0.0 105.176 -176.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.3 mt -98.65 129.54 45.14 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -178.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.6 t -78.35 172.82 13.05 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.36 0.6 . . . . 0.0 109.514 171.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -56.99 -63.12 1.31 Allowed 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 125.057 1.343 . . . . 0.0 112.179 -168.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -37.6 85.73 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -178.042 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -61.42 -45.83 92.67 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.594 -0.692 . . . . 0.0 110.686 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.508 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.6 tm? -57.66 -50.75 72.15 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -49.6 -47.36 49.58 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.794 -0.566 . . . . 0.0 110.329 175.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -58.28 -49.47 77.03 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.836 0.854 . . . . 0.0 110.707 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 tt -49.38 -51.34 35.5 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.444 0.698 . . . . 0.0 109.425 173.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.7 mt -63.77 -45.06 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-O 118.631 -0.7 . . . . 0.0 111.777 -178.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -56.71 -40.92 76.5 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.937 1.244 . . . . 0.0 110.595 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -50.34 42.68 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.734 -0.604 . . . . 0.0 111.274 176.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -66.74 -59.28 3.71 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.564 1.146 . . . . 0.0 110.67 -173.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.2 mt -110.83 70.86 0.73 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 126.94 2.096 . . . . 0.0 107.826 -176.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 m -68.24 74.51 0.23 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.808 0.843 . . . . 0.0 111.202 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.491 ' H ' HD13 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -53.3 -32.67 19.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 C-N-CA 124.662 1.185 . . . . 0.0 112.63 -179.329 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.97 -53.49 3.75 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.2 m -63.25 74.15 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.856 1.663 . . . . 0.0 110.986 172.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -51.83 -21.92 3.27 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.447 1.499 . . . . 0.0 113.905 -175.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -49.81 -40.51 42.04 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.486 1.039 . . . . 0.0 110.769 170.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -65.41 -9.2 23.2 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.663 0.785 . . . . 0.0 112.805 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -50.22 -33.16 18.53 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 119.212 0.914 . . . . 0.0 111.213 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.47 -50.96 64.21 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.472 0.578 . . . . 0.0 111.201 171.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -61.1 -44.17 97.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.9 mm -57.88 -45.83 87.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 118.597 -0.716 . . . . 0.0 111.007 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.1 m -68.25 -34.85 68.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 120.161 1.346 . . . . 0.0 111.482 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -58.66 -52.25 66.49 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.086 0.857 . . . . 0.0 110.045 171.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.42 -43.99 75.83 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.53 0.732 . . . . 0.0 110.821 176.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -58.84 -43.4 90.72 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.63 0.772 . . . . 0.0 109.926 176.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.03 -47.63 85.06 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 175.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -54.45 -47.58 72.74 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.793 -0.567 . . . . 0.0 111.098 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mt -56.12 -57.2 13.19 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.504 0.721 . . . . 0.0 110.632 174.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.7 p30 -66.7 -27.35 67.57 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 121.156 -0.965 . . . . 0.0 112.98 -172.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -45.45 -41.59 9.57 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.527 1.131 . . . . 0.0 111.609 -177.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -36.79 -40.5 0.27 Allowed 'General case' 0 C--N 1.344 0.352 0 C-N-CA 125.391 1.476 . . . . 0.0 113.094 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -150.82 59.13 0.93 Allowed 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 173.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 p30 44.44 -80.4 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.627 1.971 . . . . 0.0 114.753 172.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -75.52 -34.18 60.77 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.173 0.989 . . . . 0.0 113.409 -174.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -133.41 151.61 51.83 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.3 0.955 . . . . 0.0 113.251 -169.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.0 t -93.7 100.89 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 126.86 2.064 . . . . 0.0 109.187 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -79.56 148.91 31.57 Favored 'General case' 0 C--N 1.333 -0.115 0 O-C-N 121.923 -0.486 . . . . 0.0 110.759 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -43.46 -62.4 1.09 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -169.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -59.6 -30.95 69.04 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.419 -0.801 . . . . 0.0 111.255 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -75.4 -37.42 60.52 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.876 0.47 . . . . 0.0 109.83 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -55.79 -51.96 65.64 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 168.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.5 mm -55.91 -52.52 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.1 m -54.78 -46.04 74.35 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.257 0.623 . . . . 0.0 111.149 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -61.88 -44.19 97.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 121.939 -0.476 . . . . 0.0 110.425 177.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.7 mt -56.5 -35.39 67.95 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.905 0.775 . . . . 0.0 110.446 172.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.74 -52.52 50.15 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 168.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.76 -44.56 73.74 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.318 -1.107 . . . . 0.0 111.188 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.1 tp -58.61 -46.54 86.81 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.12 0.968 . . . . 0.0 110.027 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.468 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -57.74 -46.18 84.82 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.627 0.771 . . . . 0.0 110.973 175.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 35.6 tpp -60.03 -44.61 94.5 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.173 -0.33 . . . . 0.0 110.871 176.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.5 mt -59.08 -41.58 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.708 0.803 . . . . 0.0 109.443 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -72.52 56.99 0.39 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.167 0.587 . . . . 0.0 109.873 169.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -62.34 -26.48 68.47 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 121.086 -1.009 . . . . 0.0 112.313 -169.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -56.1 -49.32 74.19 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 122.966 0.506 . . . . 0.0 110.159 169.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.05 -43.62 98.14 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.8 -52.26 57.55 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 123.424 0.452 . . . . 0.0 110.376 177.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -55.72 -58.29 8.46 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.129 0.572 . . . . 0.0 110.16 174.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.192 0 CA-C-O 117.01 -1.994 . . . . 0.0 113.342 174.26 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.6 mtm . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 120.976 0.417 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 73.23 -59.52 0.56 Allowed 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 128.418 2.687 . . . . 0.0 111.643 175.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -44.5 -47.34 26.51 Favored Pre-proline 0 CA--C 1.536 0.42 0 C-N-CA 124.378 1.071 . . . . 0.0 113.394 -172.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -59.35 -34.14 97.68 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.067 1.844 . . . . 0.0 113.912 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 65.4 tp -81.75 -45.37 15.75 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.437 0.562 . . . . 0.0 109.986 172.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -49.85 -46.26 51.19 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 123.738 0.815 . . . . 0.0 110.61 -175.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -55.61 -42.59 75.07 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 120.669 0.271 . . . . 0.0 111.343 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.04 -53.21 15.52 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 121.865 -0.522 . . . . 0.0 110.476 -173.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.6 pt -56.82 -42.45 77.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 119.399 -0.92 . . . . 0.0 108.979 173.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.33 -43.12 26.41 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 125.531 1.539 . . . . 0.0 112.47 173.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -62.36 1.9 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.121 0.96 . . . . 0.0 110.039 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -51.22 -47.14 62.39 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.99 0.916 . . . . 0.0 110.257 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.468 HD11 ' HB1' ' A' ' 81' ' ' ALA . 62.4 mt -60.96 -51.93 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 123.018 0.527 . . . . 0.0 109.925 -177.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.28 -55.08 28.31 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 10.2 mt -48.45 -54.99 3.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -59.85 -53.52 56.9 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.232 0.539 . . . . 0.0 111.982 -175.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -74.73 -29.45 61.18 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 121.973 -0.454 . . . . 0.0 111.686 -169.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -57.08 -52.83 63.73 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 170.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -59.67 -46.87 87.75 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 119.355 -0.355 . . . . 0.0 111.14 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 18.6 m -51.21 -45.1 61.78 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.698 0.761 . . . . 0.0 111.366 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.89 -26.74 61.03 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 123.942 0.782 . . . . 0.0 113.109 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -59.4 -49.59 77.21 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 118.43 1.115 . . . . 0.0 110.483 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -85.98 -23.2 26.98 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.826 0.45 . . . . 0.0 110.6 176.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.8 39.09 18.14 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -82.88 -177.95 6.94 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 173.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -71.52 -90.86 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 171.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -141.13 52.25 1.58 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.63 0.772 . . . . 0.0 109.594 -176.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 29.2 m -154.84 114.02 3.66 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.77 1.228 . . . . 0.0 109.814 -173.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 29.6 mt -79.94 166.0 22.07 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 34.0 p -100.15 152.27 20.45 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 167.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -51.69 -43.45 62.78 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -172.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -73.0 -33.1 65.58 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.439 -0.788 . . . . 0.0 110.858 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.05 -39.68 93.67 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.227 -0.92 . . . . 0.0 109.619 172.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.465 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.0 tm? -56.32 -47.56 78.51 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 170.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -52.8 -48.46 66.87 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 120.775 -1.203 . . . . 0.0 111.069 172.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -58.45 -36.01 73.03 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 122.737 0.415 . . . . 0.0 111.793 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.25 -56.42 21.8 Favored 'General case' 0 N--CA 1.458 -0.053 0 C-N-CA 123.953 0.901 . . . . 0.0 109.383 170.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 51.4 mt -56.21 -50.04 73.12 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 C-N-CA 122.639 0.376 . . . . 0.0 111.155 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -56.18 -39.3 72.17 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.629 0.65 . . . . 0.0 110.712 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -72.46 -53.91 10.8 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 121.92 -0.488 . . . . 0.0 111.477 177.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -78.38 -49.84 12.81 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 122.199 -0.313 . . . . 0.0 111.222 -169.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.0 mt -110.33 62.72 0.6 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.767 2.027 . . . . 0.0 108.528 -176.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.2 m -65.09 79.37 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.523 1.129 . . . . 0.0 112.69 -175.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.39 80.9 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 123.858 0.863 . . . . 0.0 110.824 169.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.23 -34.09 16.89 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 125.409 1.48 . . . . 0.0 112.551 174.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.1 m -67.69 73.18 0.16 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.088 0.955 . . . . 0.0 109.815 169.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -50.79 -26.4 5.63 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -168.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 81.3 mt -48.36 -39.0 20.76 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.147 0.885 . . . . 0.0 111.449 172.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -59.52 -13.81 10.49 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.535 0.734 . . . . 0.0 112.94 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -48.47 -34.84 11.81 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.872 1.215 . . . . 0.0 111.278 171.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.47 -48.48 77.0 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.392 0.615 . . . . 0.0 111.103 172.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -62.1 -42.09 98.87 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 24.1 mm -56.8 -45.27 83.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 CA-C-O 117.689 -1.148 . . . . 0.0 110.926 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.267 7.1 m -67.97 -33.73 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 121.008 1.731 . . . . 0.0 112.656 178.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -59.93 -50.43 73.81 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.368 0.986 . . . . 0.0 110.221 170.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -60.95 -41.24 95.93 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.652 0.781 . . . . 0.0 110.889 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 24.6 ttp -57.76 -53.09 62.16 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 125.192 1.397 . . . . 0.0 108.458 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -50.84 -50.07 57.49 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.986 0.514 . . . . 0.0 109.973 175.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -58.32 -45.38 88.16 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.965 -0.459 . . . . 0.0 112.176 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.1 mt -60.19 -52.59 64.65 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.499 0.72 . . . . 0.0 110.903 175.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.33 -19.59 46.18 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -169.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 28.9 ttm105 -53.08 -44.08 67.26 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -52.57 -35.4 53.8 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.831 0.852 . . . . 0.0 112.401 -173.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -130.14 51.85 2.06 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 170.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 24.95 68.25 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 127.603 2.361 . . . . 0.0 115.035 172.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 104.37 -15.95 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 128.675 2.79 . . . . 0.0 112.245 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -105.75 156.57 18.17 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.849 0.86 . . . . 0.0 109.271 171.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 39.9 t -123.86 103.93 13.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -77.72 150.82 34.38 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -44.82 -49.52 10.74 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -56.2 -47.94 77.39 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.796 -0.565 . . . . 0.0 110.161 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -62.98 -43.84 97.68 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.823 0.849 . . . . 0.0 109.553 -176.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -53.16 -55.77 21.55 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.813 0.845 . . . . 0.0 110.658 172.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.1 mm -57.97 -54.58 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 118.673 0.67 . . . . 0.0 110.353 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 96.2 m -51.85 -45.62 64.1 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.728 0.811 . . . . 0.0 111.57 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -64.85 -45.18 87.17 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 122.076 -0.39 . . . . 0.0 110.381 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 76.7 mt -57.21 -34.08 68.17 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.503 -0.748 . . . . 0.0 110.236 173.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.35 -50.58 63.64 Favored Glycine 0 CA--C 1.532 1.136 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 169.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.31 -49.93 68.53 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.804 -0.821 . . . . 0.0 110.639 173.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.7 tp -58.76 -42.01 87.9 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.609 0.764 . . . . 0.0 110.931 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.536 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -57.54 -44.47 85.18 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 121.757 -0.59 . . . . 0.0 110.266 173.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 20.8 ttt -64.31 -39.91 94.86 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.307 -0.246 . . . . 0.0 111.29 176.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 11.2 mm -55.65 -45.83 79.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -73.29 55.7 0.46 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.315 0.646 . . . . 0.0 110.57 172.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -49.95 -39.53 40.85 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.241 1.416 . . . . 0.0 112.306 -173.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -40.99 -45.2 2.54 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.918 1.287 . . . . 0.0 112.293 172.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.9 -34.28 67.76 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.391 0.677 . . . . 0.0 111.596 -178.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 60.9 mt -57.98 -26.72 62.7 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.092 0.557 . . . . 0.0 111.302 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -73.48 -17.44 61.23 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.558 -0.714 . . . . 0.0 110.809 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 117.168 -1.907 . . . . 0.0 111.166 176.517 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 110.595 -0.15 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.22 -39.37 23.18 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 122.726 0.411 . . . . 0.0 110.474 -172.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -42.23 -51.25 10.92 Favored Pre-proline 0 N--CA 1.451 -0.396 0 C-N-CA 125.865 1.666 . . . . 0.0 113.663 -172.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -51.68 -48.4 21.61 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.356 2.704 . . . . 0.0 112.619 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.4 tp -70.78 -45.78 64.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.626 -0.671 . . . . 0.0 109.392 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -53.13 -49.59 66.25 Favored 'General case' 0 N--CA 1.458 -0.063 0 C-N-CA 122.79 0.436 . . . . 0.0 110.479 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -62.04 -40.18 94.84 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.173 -0.329 . . . . 0.0 110.876 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.81 -55.66 27.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.51 0.596 . . . . 0.0 111.476 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 pt -57.79 -43.08 83.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.81 -41.65 20.52 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.56 1.552 . . . . 0.0 112.873 170.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.39 -58.91 5.94 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.222 1.011 . . . . 0.0 109.715 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -50.38 -48.41 55.89 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.802 0.841 . . . . 0.0 109.362 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.45 HD11 ' HB1' ' B' ' 81' ' ' ALA . 68.4 mt -58.23 -52.81 54.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 C-N-CA 122.671 0.389 . . . . 0.0 110.346 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.8 -54.75 29.12 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.1 mt -51.56 -56.37 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -53.14 -53.18 54.32 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.924 0.393 . . . . 0.0 111.452 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -72.14 -28.16 63.07 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 118.424 -0.798 . . . . 0.0 112.743 -172.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -59.03 -55.02 40.49 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.436 1.016 . . . . 0.0 108.919 169.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -61.57 -46.89 87.96 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.761 -178.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.4 m -60.02 -52.15 66.59 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.772 -0.58 . . . . 0.0 109.751 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.1 -45.23 26.84 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 124.642 1.115 . . . . 0.0 111.805 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -50.59 -33.92 23.88 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 117.613 0.707 . . . . 0.0 112.825 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.85 21.56 14.81 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.757 0.708 . . . . 0.0 112.085 176.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.88 -25.77 5.75 Favored Glycine 0 CA--C 1.528 0.864 0 CA-C-O 118.552 -1.138 . . . . 0.0 114.23 169.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -67.05 149.7 50.24 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.709 1.754 . . . . 0.0 110.714 -176.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -96.24 -94.12 0.2 Allowed 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -79.45 27.71 0.26 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -169.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.6 t -155.79 143.72 19.79 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.564 -0.71 . . . . 0.0 109.962 -178.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.7 mt -105.49 139.27 40.36 Favored 'General case' 0 CA--C 1.522 -0.122 0 C-N-CA 125.071 1.348 . . . . 0.0 108.287 169.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.4 p -79.68 155.64 27.94 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.559 0.618 . . . . 0.0 109.963 169.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -48.8 -50.29 34.95 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.772 1.229 . . . . 0.0 113.557 -171.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -76.55 -28.28 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.92 -0.487 . . . . 0.0 110.38 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -66.13 -40.37 90.6 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 173.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.506 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.1 tm? -56.23 -51.18 69.01 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 170.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -53.08 -45.83 68.35 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.083 -1.011 . . . . 0.0 110.672 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -55.3 -48.34 74.24 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.021 0.528 . . . . 0.0 110.537 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 tt -50.37 -55.1 17.1 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 124.155 0.982 . . . . 0.0 109.291 176.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.98 -51.69 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.278 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -63.94 -25.15 68.01 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 118.633 -0.699 . . . . 0.0 112.277 -175.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.86 -57.08 3.71 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 119.387 0.994 . . . . 0.0 110.803 170.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -65.3 -65.09 0.72 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.979 0.895 . . . . 0.0 109.185 -174.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -87.02 55.77 3.72 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 -178.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 t -65.19 117.29 7.57 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.383 -172.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.1 mt -83.3 -32.8 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.676 -169.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.74 -60.59 2.51 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -169.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.5 m -70.97 71.3 0.54 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.58 0.752 . . . . 0.0 110.017 171.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -56.73 -15.33 4.4 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.9 mt -45.99 -37.9 7.11 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.887 0.875 . . . . 0.0 111.747 169.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -64.65 -9.36 19.15 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -52.14 -26.42 11.28 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.695 0.68 . . . . 0.0 112.337 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.39 -50.33 40.77 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.47 0.577 . . . . 0.0 111.98 170.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -64.31 -41.58 96.77 Favored 'General case' 0 C--O 1.231 0.119 0 O-C-N 121.25 -0.906 . . . . 0.0 109.407 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.8 mm -58.35 -38.21 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 118.357 -0.83 . . . . 0.0 110.854 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.251 7.9 m -68.85 -37.59 77.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 120.118 1.327 . . . . 0.0 112.529 176.269 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -60.65 -51.53 69.0 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.36 0.982 . . . . 0.0 109.595 172.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 tt -53.42 -45.43 69.38 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.289 0.636 . . . . 0.0 111.129 175.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -62.15 -42.96 99.76 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.114 0.965 . . . . 0.0 109.641 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -56.79 -47.65 79.69 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -61.21 -43.27 99.15 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.924 -0.485 . . . . 0.0 111.631 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mt -60.5 -59.77 4.88 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.079 0.552 . . . . 0.0 110.434 173.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -69.82 -21.77 63.36 Favored 'General case' 0 N--CA 1.46 0.074 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -169.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.9 ttp-105 -29.92 -55.08 0.17 Allowed 'General case' 0 C--N 1.342 0.242 0 C-N-CA 126.165 1.786 . . . . 0.0 110.456 169.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -32.72 -51.21 0.28 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 126.831 2.052 . . . . 0.0 114.57 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -135.75 54.86 1.89 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 173.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.267 4.3 p30 52.81 -64.39 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 128.241 2.616 . . . . 0.0 115.998 176.287 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -120.93 1.66 10.44 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.583 1.953 . . . . 0.0 111.543 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -129.99 150.14 51.4 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.617 0.767 . . . . 0.0 110.182 176.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.2 t -107.05 123.83 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 174.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -79.3 154.41 29.13 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 120.415 1.461 . . . . 0.0 109.822 170.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -43.32 -53.55 5.18 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 174.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -66.3 -36.14 82.19 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 120.969 -1.082 . . . . 0.0 110.897 -175.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -59.46 -50.15 75.06 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 171.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -52.86 -52.22 58.16 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.579 0.352 . . . . 0.0 110.283 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.5 mm -57.12 -54.39 30.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 118.082 0.401 . . . . 0.0 110.336 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.2 m -48.15 -51.63 24.11 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.597 0.759 . . . . 0.0 111.081 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -64.76 -40.44 95.29 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 123.818 0.847 . . . . 0.0 110.428 -178.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.5 mt -57.95 -35.37 71.04 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.667 1.122 . . . . 0.0 110.168 171.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.75 -51.36 58.47 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 168.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.76 -42.2 71.38 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.947 -0.737 . . . . 0.0 110.944 175.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.9 tp -62.13 -44.9 95.61 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.793 1.237 . . . . 0.0 109.774 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.04 -49.2 72.18 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.189 0.596 . . . . 0.0 110.025 172.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -43.74 88.75 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 122.826 0.451 . . . . 0.0 111.014 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.1 mt -66.03 -44.28 92.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 124.644 1.178 . . . . 0.0 110.419 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -53.88 -45.97 71.22 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 171.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 72.45 -57.25 0.63 Allowed 'General case' 0 C--O 1.228 -0.059 0 C-N-CA 125.841 1.656 . . . . 0.0 113.945 166.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -52.36 -40.73 62.36 Favored 'General case' 0 CA--C 1.529 0.163 0 O-C-N 121.824 -0.547 . . . . 0.0 109.61 173.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.09 -39.02 8.74 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.531 1.133 . . . . 0.0 112.526 173.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.0 mt -62.47 -33.33 74.63 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.092 0.557 . . . . 0.0 110.882 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -87.82 -48.9 7.47 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.796 1.238 . . . . 0.0 109.202 -175.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.185 0 CA-C-O 117.256 -1.858 . . . . 0.0 110.044 -179.346 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.39 -58.73 2.77 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.493 1.117 . . . . 0.0 111.379 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -43.47 -60.13 2.78 Favored Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 125.176 1.39 . . . . 0.0 114.603 -172.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -51.92 -44.72 43.31 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.529 2.153 . . . . 0.0 113.0 177.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.1 tp -65.78 -47.63 74.51 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 119.334 -0.946 . . . . 0.0 110.23 177.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -53.32 -50.0 65.89 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.7 0.8 . . . . 0.0 110.086 -177.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -61.14 -40.74 94.95 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.07 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.5 -55.16 34.14 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.664 0.665 . . . . 0.0 111.811 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 31.0 pt -57.71 -44.24 85.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.07 -45.39 9.62 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 125.324 1.44 . . . . 0.0 112.454 170.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.72 -59.74 4.75 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.227 1.011 . . . . 0.0 109.99 -178.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 mp -51.68 -49.52 62.22 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.661 0.784 . . . . 0.0 109.719 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.68 -47.68 88.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.307 -176.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.42 -56.67 23.16 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.8 mt -45.57 -50.37 3.49 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 C-N-CA 123.581 0.752 . . . . 0.0 109.317 177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -59.48 -65.19 0.71 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.649 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -64.63 -32.95 74.84 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -168.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -56.85 -43.9 81.61 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 173.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -69.19 -47.71 64.14 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 118.301 -0.857 . . . . 0.0 111.423 175.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.5 m -47.7 -44.45 27.6 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 119.598 1.09 . . . . 0.0 111.778 177.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.54 -29.78 7.85 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 123.882 0.753 . . . . 0.0 113.853 177.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -58.87 -42.93 90.59 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.143 0.977 . . . . 0.0 111.749 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -161.27 -37.82 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -174.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.27 -47.42 61.77 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 179.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.3 t70 51.96 29.87 6.64 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.899 1.68 . . . . 0.0 112.736 175.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -154.05 -176.74 6.0 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 127.056 2.143 . . . . 0.0 105.32 177.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -77.38 52.29 0.93 Allowed 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.743 -0.598 . . . . 0.0 110.3 174.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 80.5 p -142.31 159.27 42.56 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.079 1.351 . . . . 0.0 109.695 -176.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 89.8 mt -130.71 130.64 44.08 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 168.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.5 t -78.82 178.39 7.97 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.375 0.534 . . . . 0.0 110.042 173.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -63.6 -64.42 0.9 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.716 0.806 . . . . 0.0 111.142 -169.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -66.19 -33.26 75.36 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.651 -0.655 . . . . 0.0 110.531 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -55.86 -51.3 68.03 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.349 0.659 . . . . 0.0 109.635 173.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.486 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.3 tm? -58.21 -47.5 83.28 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.207 0.603 . . . . 0.0 109.529 174.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -56.79 -39.35 73.92 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 120.846 -1.159 . . . . 0.0 111.233 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -65.03 -34.27 78.03 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.726 0.81 . . . . 0.0 111.144 177.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 tt -58.97 -55.97 28.32 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 169.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 54.5 mt -57.2 -53.47 43.05 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 CA-C-O 119.499 -0.286 . . . . 0.0 110.598 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -52.43 -35.14 51.49 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 118.219 0.463 . . . . 0.0 111.686 -178.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -74.13 -61.15 1.96 Allowed 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 117.748 0.249 . . . . 0.0 110.801 175.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -68.87 -63.18 1.11 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 122.182 0.991 . . . . 0.0 109.244 -172.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 46.5 mt -84.65 74.4 10.44 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.73 70.74 0.13 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.2 1.4 . . . . 0.0 111.491 -175.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 6.2 pt -69.52 76.37 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 124.842 1.257 . . . . 0.0 112.065 -175.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.55 -38.99 14.92 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.147 0.879 . . . . 0.0 111.464 169.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 33.4 t -70.26 70.48 0.4 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.4 0.68 . . . . 0.0 109.72 169.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -53.45 -18.7 2.89 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.786 1.635 . . . . 0.0 114.133 -174.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 83.0 mt -47.61 -35.26 9.01 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.835 0.743 . . . . 0.0 111.575 169.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -59.79 -18.28 42.27 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 178.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -48.76 -45.23 39.54 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.336 0.971 . . . . 0.0 112.726 -173.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.54 -45.85 69.97 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.459 0.647 . . . . 0.0 110.89 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -64.92 -42.19 94.9 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 26.3 mm -56.65 -48.31 80.89 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 CA-C-O 117.888 -1.053 . . . . 0.0 111.078 174.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.257 7.2 m -67.77 -33.82 63.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 120.606 1.548 . . . . 0.0 112.177 -178.338 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -60.19 -49.47 77.48 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.123 0.874 . . . . 0.0 110.163 170.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.12 -41.43 88.2 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.89 0.876 . . . . 0.0 111.575 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 51.6 ttp -58.14 -53.9 52.99 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.978 1.311 . . . . 0.0 107.992 175.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -50.44 -51.71 44.37 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 123.645 0.59 . . . . 0.0 109.506 175.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -53.78 -51.55 63.07 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.771 0.714 . . . . 0.0 111.925 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.7 mt -53.96 -59.92 4.01 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.377 0.671 . . . . 0.0 110.609 177.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -67.49 -32.35 73.11 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -173.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 45.2 ttm105 -47.69 -42.77 25.71 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 124.043 0.937 . . . . 0.0 110.911 -170.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -49.41 -36.93 23.57 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -176.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -133.21 48.09 2.43 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.38 0.672 . . . . 0.0 109.287 171.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 p30 37.81 -84.71 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.949 2.5 . . . . 0.0 115.232 175.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -61.72 -34.21 75.39 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.629 1.172 . . . . 0.0 111.617 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -140.32 161.82 36.78 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 118.556 0.616 . . . . 0.0 111.927 -175.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 10.6 p -103.63 129.4 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 166.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -84.59 154.8 22.38 Favored 'General case' 0 CA--C 1.526 0.044 0 O-C-N 121.99 -0.444 . . . . 0.0 109.878 175.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -40.77 -51.8 3.05 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.751 1.22 . . . . 0.0 114.072 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.0 tp60 -59.8 -45.56 91.92 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.193 -0.942 . . . . 0.0 110.436 -178.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.08 -40.24 94.38 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.688 0.795 . . . . 0.0 109.671 -178.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -55.01 -53.62 53.47 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.401 0.681 . . . . 0.0 110.331 172.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.0 mm -57.6 -53.04 49.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 118.257 0.48 . . . . 0.0 109.924 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 61.7 m -51.77 -47.16 64.29 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.911 -0.493 . . . . 0.0 111.499 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -61.72 -46.2 90.67 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 122.554 0.342 . . . . 0.0 110.217 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 79.1 mt -57.73 -36.33 71.9 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.605 0.639 . . . . 0.0 110.53 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.69 -51.26 57.87 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 169.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.15 -44.21 83.21 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.712 -0.876 . . . . 0.0 110.943 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 tp -57.4 -48.83 78.07 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.285 1.034 . . . . 0.0 109.81 177.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.45 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -58.82 -41.1 86.07 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.719 0.807 . . . . 0.0 111.016 176.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 21.5 ttt -66.36 -41.37 89.58 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.975 -0.453 . . . . 0.0 111.085 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 66.6 mt -59.96 -40.28 82.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.758 0.823 . . . . 0.0 109.203 173.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -71.42 55.39 0.23 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.513 0.725 . . . . 0.0 110.211 169.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -27.46 68.61 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 120.9 -1.125 . . . . 0.0 111.219 -170.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -56.76 -36.57 69.94 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.714 -0.616 . . . . 0.0 111.729 172.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.55 89.13 Favored 'General case' 0 CA--C 1.528 0.12 0 O-C-N 121.969 -0.457 . . . . 0.0 109.877 175.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 mt -60.13 -45.67 92.24 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.486 176.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.85 -46.64 89.78 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.311 0.645 . . . . 0.0 110.357 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.094 0 CA-C-O 116.95 -2.028 . . . . 0.0 111.109 -173.935 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.3 mtp . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 111.378 0.14 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.86 -57.57 0.46 Allowed 'General case' 0 C--O 1.235 0.299 0 C-N-CA 130.159 3.384 . . . . 0.0 111.888 179.259 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -39.17 -49.43 4.43 Favored Pre-proline 0 N--CA 1.446 -0.64 0 C-N-CA 127.83 2.452 . . . . 0.0 112.818 179.543 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -53.63 -46.63 32.32 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.815 2.343 . . . . 0.0 113.048 179.306 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 tp -74.2 -45.82 45.9 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.217 178.807 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -53.05 -46.8 68.69 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 122.702 0.401 . . . . 0.0 110.708 -176.205 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -62.91 -37.24 86.19 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.068 -0.395 . . . . 0.0 111.306 177.791 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.67 -52.57 29.66 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.733 -0.604 . . . . 0.0 111.088 -178.712 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.6 pt -57.75 -42.8 82.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 173.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.58 -41.73 18.9 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 125.418 1.485 . . . . 0.0 112.628 170.274 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.15 -58.3 7.68 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.581 1.191 . . . . 0.0 109.661 178.769 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mp -51.51 -47.08 63.43 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 122.963 0.505 . . . . 0.0 110.018 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -60.28 -57.69 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 178.661 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.68 -50.06 26.33 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 124.814 1.197 . . . . 0.0 111.553 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.1 mt -54.0 -60.17 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 175.212 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.12 -51.73 56.0 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 121.411 0.624 . . . . 0.0 111.226 -176.147 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -73.24 -26.74 61.24 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 117.917 -1.04 . . . . 0.0 112.663 -172.263 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -70.8 -42.79 69.85 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.476 1.489 . . . . 0.0 110.069 171.51 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -64.65 -44.34 90.76 Favored 'General case' 0 C--N 1.34 0.172 0 O-C-N 121.758 -0.589 . . . . 0.0 111.256 177.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.5 t -55.63 -52.14 64.81 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 170.108 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -42.25 -49.59 5.52 Favored Glycine 0 C--N 1.337 0.608 0 C-N-CA 126.369 1.938 . . . . 0.0 112.698 175.82 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -48.5 -33.32 9.27 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.242 1.017 . . . . 0.0 112.323 178.349 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -120.59 31.42 6.45 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.029 1.331 . . . . 0.0 111.268 178.073 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.44 106.88 0.9 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.624 -0.991 . . . . 0.0 110.624 -178.016 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.09 123.77 17.71 Favored 'General case' 0 CA--C 1.529 0.147 0 O-C-N 122.416 -0.461 . . . . 0.0 111.822 -175.729 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -141.29 -175.3 4.29 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 126.071 1.748 . . . . 0.0 107.061 172.395 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -87.29 22.8 2.02 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.492 -0.755 . . . . 0.0 110.651 170.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.2 p -145.5 144.39 30.53 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 126.408 1.883 . . . . 0.0 107.846 -172.64 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 pp -143.09 150.35 39.39 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.108 0.413 . . . . 0.0 110.653 168.639 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.0 m -78.12 156.38 29.98 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -167.792 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -42.88 -54.89 3.96 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 126.531 1.933 . . . . 0.0 112.517 -178.791 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -70.84 -32.14 69.08 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.741 -0.599 . . . . 0.0 110.914 -178.164 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -64.8 -40.14 94.74 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.436 -0.79 . . . . 0.0 109.158 176.067 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.536 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.8 tm? -57.24 -50.59 72.4 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 170.358 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -54.12 -42.55 69.6 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 120.918 -1.114 . . . . 0.0 111.382 176.69 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -58.11 -50.1 74.65 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tt -49.47 -55.5 13.0 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 124.512 1.125 . . . . 0.0 110.178 176.61 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.16 -56.49 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -177.398 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -56.24 -34.14 66.06 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 118.998 -0.525 . . . . 0.0 111.576 -174.408 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -78.09 -59.52 2.75 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 118.565 0.62 . . . . 0.0 110.745 176.355 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -73.72 -49.51 25.33 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 123.19 0.596 . . . . 0.0 111.655 -168.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -99.0 73.62 1.95 Allowed 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 176.236 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.76 75.9 0.11 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.899 1.28 . . . . 0.0 112.748 -169.563 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -19.42 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -179.188 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.52 -69.19 1.76 Allowed Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.393 0.997 . . . . 0.0 113.109 169.084 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.4 m -71.25 87.94 0.83 Allowed 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -179.202 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -55.91 -14.74 2.66 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.53 1.132 . . . . 0.0 114.022 -173.878 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.3 mt -53.73 -24.75 15.85 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.922 0.783 . . . . 0.0 111.434 169.007 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -68.14 -3.96 12.17 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.703 0.801 . . . . 0.0 112.811 173.657 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -43.93 -44.15 6.93 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 119.828 1.194 . . . . 0.0 112.715 177.792 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.31 -48.69 55.1 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.02 0.928 . . . . 0.0 111.496 173.137 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -60.41 -47.61 85.33 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 176.407 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.3 mm -56.3 -44.45 79.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.644 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.2 m -71.95 -34.42 50.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 120.18 1.355 . . . . 0.0 112.687 179.566 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.29 -51.51 69.66 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.551 1.069 . . . . 0.0 109.71 171.709 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 tt -57.68 -43.4 85.04 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.676 0.791 . . . . 0.0 110.927 176.909 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 45.7 ttp -57.11 -47.69 80.46 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 123.62 0.768 . . . . 0.0 108.957 175.64 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -55.08 -49.11 72.49 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 118.294 0.497 . . . . 0.0 109.87 175.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -54.41 -47.25 72.98 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 177.537 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.1 -61.9 2.27 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 122.992 0.517 . . . . 0.0 110.665 174.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -65.91 -12.43 54.63 Favored 'General case' 0 C--O 1.228 -0.072 0 C-N-CA 124.511 1.125 . . . . 0.0 113.628 -174.383 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -48.62 -28.22 3.34 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.859 0.754 . . . . 0.0 110.083 168.272 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -38.69 -53.49 1.64 Allowed 'General case' 0 C--N 1.342 0.271 0 C-N-CA 124.964 1.306 . . . . 0.0 112.468 167.749 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 pttp 179.11 153.53 0.41 Allowed 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 127.155 2.182 . . . . 0.0 109.055 178.27 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -53.0 142.86 18.61 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.404 0.682 . . . . 0.0 111.249 -177.399 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 72.41 -58.2 0.6 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.375 1.87 . . . . 0.0 113.357 170.165 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -108.13 118.8 37.7 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.752 1.221 . . . . 0.0 112.053 -169.657 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.0 t -79.79 123.75 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 168.22 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -86.57 146.52 26.32 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.026 0.53 . . . . 0.0 110.827 178.219 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -40.64 -54.63 2.54 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.057 1.743 . . . . 0.0 113.524 177.572 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -58.31 -46.69 85.68 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.75 -0.594 . . . . 0.0 110.089 -175.849 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -70.01 -35.23 74.21 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -176.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -53.54 -55.27 27.01 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 119.266 -0.397 . . . . 0.0 110.287 169.272 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 21.0 mm -57.69 -51.34 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 118.998 0.817 . . . . 0.0 110.28 178.785 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.8 m -49.3 -51.8 31.64 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.515 0.726 . . . . 0.0 110.205 179.33 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -63.77 -42.38 97.81 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 123.127 0.571 . . . . 0.0 110.786 -178.824 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.0 mt -56.19 -37.04 69.06 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.236 0.926 . . . . 0.0 110.516 173.771 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.421 ' CA ' HG21 ' B' ' 74' ' ' ILE . . . -55.22 -51.49 53.76 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.611 -0.595 . . . . 0.0 111.611 169.476 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.3 84.87 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.223 -0.575 . . . . 0.0 110.664 177.177 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 tp -56.13 -48.58 75.95 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.361 1.064 . . . . 0.0 109.927 178.55 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.425 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -57.5 -49.72 75.41 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.323 0.649 . . . . 0.0 110.828 176.143 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -55.68 -46.58 77.57 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.047 0.539 . . . . 0.0 110.642 178.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.3 mt -66.32 -45.55 89.35 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 125.144 1.377 . . . . 0.0 110.463 -177.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -51.64 -50.69 59.8 Favored 'General case' 0 C--N 1.34 0.17 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 172.548 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 71.46 -54.85 0.67 Allowed 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 125.871 1.668 . . . . 0.0 114.193 168.005 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -51.45 -36.8 45.7 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.432 1.093 . . . . 0.0 110.411 171.537 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.53 -44.68 62.71 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.42 0.688 . . . . 0.0 111.277 171.477 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.6 mt -67.91 -52.32 37.64 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 174.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -77.03 52.11 0.85 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.95 0.9 . . . . 0.0 110.964 -177.86 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 117.153 -1.915 . . . . 0.0 109.805 -175.786 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.472 0.672 0 CA-C-O 118.975 -0.536 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.66 -61.18 0.37 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 128.927 2.891 . . . . 0.0 110.747 -175.675 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -38.42 -58.49 1.54 Allowed Pre-proline 0 N--CA 1.445 -0.678 0 C-N-CA 129.058 2.943 . . . . 0.0 114.054 -179.153 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -55.63 -52.05 8.44 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.201 1.934 . . . . 0.0 112.962 -173.081 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -71.33 -45.26 63.41 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.772 178.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -53.11 -48.09 68.12 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 122.272 0.229 . . . . 0.0 111.312 -176.804 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -64.52 -37.87 89.06 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 118.111 0.414 . . . . 0.0 110.77 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.4 -54.03 34.63 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 121.779 -0.575 . . . . 0.0 111.419 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 30.1 pt -56.96 -43.41 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 175.099 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.22 -40.94 14.99 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 125.917 1.722 . . . . 0.0 113.095 171.013 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.411 ' CD1' HD12 ' B' ' 15' ' ' ILE . 0.4 OUTLIER -63.07 -60.73 3.05 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.55 1.175 . . . . 0.0 109.619 179.791 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -49.66 -48.92 49.08 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.78 0.832 . . . . 0.0 109.708 178.244 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.425 HD11 ' HB1' ' A' ' 81' ' ' ALA . 64.5 mt -57.97 -55.57 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 123.715 0.806 . . . . 0.0 110.075 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.21 -54.04 31.41 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -178.256 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.411 HD12 ' CD1' ' B' ' 11' ' ' LEU . 6.9 mt -51.26 -57.62 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 177.883 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -53.11 -60.15 3.65 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.459 0.647 . . . . 0.0 111.613 -176.715 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -26.15 65.56 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 118.74 -0.648 . . . . 0.0 111.596 -169.145 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -58.38 -55.55 33.59 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.31 0.959 . . . . 0.0 109.3 169.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -59.24 -48.97 79.65 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.48 -179.754 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.8 m -50.59 -50.96 52.54 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.378 0.99 . . . . 0.0 111.526 172.486 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.24 -40.62 60.41 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 124.897 1.237 . . . . 0.0 111.801 179.357 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -48.91 -40.39 29.82 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 117.594 0.697 . . . . 0.0 111.89 176.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -104.69 20.8 18.0 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.625 0.77 . . . . 0.0 111.453 179.618 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.06 25.59 57.04 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.096 0.855 . . . . 0.0 113.075 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -95.43 154.29 17.27 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 175.43 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -97.94 -115.22 0.14 Allowed 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.216 1.006 . . . . 0.0 108.457 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -80.16 39.9 0.46 Allowed 'General case' 0 CA--C 1.536 0.421 0 O-C-N 120.876 -1.14 . . . . 0.0 111.583 -170.901 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 20.9 m -155.2 155.65 34.26 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.233 1.813 . . . . 0.0 106.568 -177.157 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.0 tt -150.83 134.03 16.12 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.084 0.954 . . . . 0.0 108.519 -168.807 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.2 t -78.73 175.73 10.17 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 122.198 0.999 . . . . 0.0 113.517 -172.123 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -66.59 -71.65 0.19 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 127.363 2.265 . . . . 0.0 111.753 -168.548 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -64.13 -28.79 70.0 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.489 -0.757 . . . . 0.0 109.788 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.14 -40.79 96.91 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 121.737 -0.602 . . . . 0.0 111.03 174.675 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.503 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.3 tm? -54.9 -48.42 73.07 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-N 119.049 0.84 . . . . 0.0 108.82 170.338 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -56.74 -41.59 77.8 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 119.387 -0.925 . . . . 0.0 111.165 177.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -56.94 -50.4 72.73 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.089 0.556 . . . . 0.0 110.627 174.486 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tt -48.88 -53.52 19.17 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 123.946 0.898 . . . . 0.0 109.26 174.694 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 50.3 mt -60.96 -57.49 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-O 119.127 -0.463 . . . . 0.0 110.35 -178.03 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -55.88 -40.07 72.44 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.979 0.809 . . . . 0.0 111.998 -176.874 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -80.99 -41.2 23.13 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.725 0.693 . . . . 0.0 112.287 -174.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -81.2 -58.68 2.95 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.36 0.527 . . . . 0.0 110.292 178.836 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -86.49 73.17 10.16 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -179.071 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 45.7 p -72.28 69.23 0.79 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.329 0.652 . . . . 0.0 110.921 -177.476 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 23.3 pt -68.53 132.3 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 170.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.96 -32.96 73.83 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 174.629 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.2 p -75.09 63.67 1.3 Allowed 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.967 1.707 . . . . 0.0 111.655 -174.6 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -56.41 -19.03 13.05 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.597 0.759 . . . . 0.0 111.89 174.793 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.45 HD22 ' H ' ' B' ' 48' ' ' LEU . 3.2 mm? -47.86 -32.99 6.82 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.895 0.878 . . . . 0.0 111.364 169.632 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -71.1 5.25 2.19 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.82 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -45.16 -46.74 12.23 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 119.835 1.198 . . . . 0.0 111.987 -179.067 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.02 -46.83 61.69 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.426 0.69 . . . . 0.0 111.197 175.87 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -66.0 -43.15 88.6 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.563 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 29.1 mm -57.36 -46.51 85.44 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-O 118.66 -0.686 . . . . 0.0 110.619 176.079 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.251 26.1 m -70.95 -32.74 49.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 119.89 1.223 . . . . 0.0 112.406 -179.093 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -59.32 -52.63 64.8 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.355 0.979 . . . . 0.0 109.481 169.608 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.81 -44.95 70.63 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.054 0.941 . . . . 0.0 111.153 176.453 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 54.2 ttp -58.66 -50.47 73.73 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 124.395 1.078 . . . . 0.0 108.985 177.014 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -54.0 -47.57 71.32 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.748 0.819 . . . . 0.0 110.155 177.734 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -58.01 -52.18 66.59 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 122.173 -0.329 . . . . 0.0 110.644 177.405 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -55.27 -51.43 66.67 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.18 0.592 . . . . 0.0 111.22 177.339 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -71.98 -28.98 63.78 Favored 'General case' 0 CA--C 1.529 0.147 0 O-C-N 121.36 -0.837 . . . . 0.0 112.94 -173.555 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.56 -48.55 2.87 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.365 1.066 . . . . 0.0 111.195 -178.273 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -26.02 -51.53 0.04 OUTLIER 'General case' 0 C--N 1.339 0.137 0 C-N-CA 126.845 2.058 . . . . 0.0 114.086 172.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -143.46 58.07 1.38 Allowed 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 174.611 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.256 2.7 p30 54.49 -70.91 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 127.708 2.403 . . . . 0.0 114.801 177.027 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -103.84 -31.08 9.96 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.692 1.597 . . . . 0.0 110.387 178.779 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -95.77 119.65 34.63 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 123.195 0.598 . . . . 0.0 110.652 -169.08 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 22.5 t -81.26 113.95 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 169.708 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -77.94 153.45 32.51 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.237 0.926 . . . . 0.0 109.764 175.41 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -50.15 -48.4 53.78 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 176.727 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -58.68 -48.57 80.63 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.553 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -54.89 -48.83 72.51 Favored 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.125 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -52.49 -54.76 28.17 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 119.308 -0.377 . . . . 0.0 110.915 177.591 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.421 HG21 ' CA ' ' A' ' 78' ' ' GLY . 20.2 mm -59.51 -51.18 75.72 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 118.885 0.766 . . . . 0.0 110.623 -179.594 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 32.1 m -52.61 -48.45 66.29 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.751 0.82 . . . . 0.0 110.0 -179.734 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -63.29 -43.01 99.11 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 123.966 0.906 . . . . 0.0 110.287 179.28 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 85.2 mt -58.38 -34.59 70.88 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.477 1.035 . . . . 0.0 110.468 173.589 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.46 -50.57 63.89 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 168.631 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.3 74.71 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.776 -0.838 . . . . 0.0 111.714 174.491 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.2 tp -64.23 -45.07 89.79 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.26 1.024 . . . . 0.0 109.479 178.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.23 -43.96 79.13 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.134 0.574 . . . . 0.0 110.253 171.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 41.7 ttm -61.71 -42.22 98.65 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 122.099 -0.376 . . . . 0.0 111.767 175.099 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 70.9 mt -58.35 -43.1 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 175.005 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -74.73 50.93 0.46 Allowed 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.72 -0.613 . . . . 0.0 109.979 169.386 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.54 -32.45 50.65 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 124.255 1.022 . . . . 0.0 112.618 -167.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -50.16 -42.56 51.14 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 122.73 0.412 . . . . 0.0 111.204 176.002 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.07 -33.19 64.79 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.247 0.619 . . . . 0.0 111.146 177.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 16.0 mt -74.29 6.79 3.29 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -179.801 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -93.97 0.14 55.88 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.691 0.678 . . . . 0.0 109.805 167.365 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 117.043 -1.976 . . . . 0.0 110.817 -175.821 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 ptp . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 121.254 0.549 . . . . 0.0 112.134 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.77 -63.93 0.34 Allowed 'General case' 0 C--O 1.231 0.085 0 C-N-CA 129.827 3.251 . . . . 0.0 111.47 173.652 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 p -36.55 -57.44 1.17 Allowed Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 128.393 2.677 . . . . 0.0 114.906 -169.578 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -59.28 -42.03 53.56 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 121.691 1.594 . . . . 0.0 113.176 -174.09 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.3 tp -81.01 -43.64 19.29 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 118.695 0.68 . . . . 0.0 110.077 176.379 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.06 -42.75 63.39 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.909 0.883 . . . . 0.0 111.21 -177.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -58.0 -43.69 86.76 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 119.338 0.972 . . . . 0.0 110.712 176.291 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.17 -54.99 16.09 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 122.324 -0.235 . . . . 0.0 110.617 -174.916 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.8 pt -59.81 -41.88 87.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 119.41 -0.916 . . . . 0.0 109.491 177.161 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.97 -41.5 37.21 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 125.198 1.38 . . . . 0.0 112.157 172.048 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.405 ' CD1' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -60.71 -60.26 4.09 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.546 1.139 . . . . 0.0 109.573 -179.882 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -51.42 -47.06 63.11 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.487 0.715 . . . . 0.0 110.118 178.306 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.482 HD11 ' HB1' ' B' ' 81' ' ' ALA . 70.9 mt -59.47 -52.29 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.394 0.677 . . . . 0.0 110.025 179.89 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.19 -53.32 45.63 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 -178.585 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.405 HD12 ' CD1' ' A' ' 11' ' ' LEU . 7.5 mt -49.4 -55.02 4.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 176.77 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -57.44 -57.24 13.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.998 -175.401 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -72.78 -28.38 62.56 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 118.811 -0.614 . . . . 0.0 111.468 -169.225 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -61.46 -51.45 68.65 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.926 0.785 . . . . 0.0 109.23 170.129 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -59.13 -38.95 80.87 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 178.376 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.1 m -62.56 -50.55 70.86 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.963 -0.46 . . . . 0.0 109.979 175.525 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.12 -39.42 49.91 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 124.718 1.152 . . . . 0.0 111.79 175.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -51.75 -34.89 41.4 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 117.626 0.713 . . . . 0.0 112.232 177.681 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -109.96 22.09 16.04 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.578 0.751 . . . . 0.0 111.339 176.549 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 54.34 30.08 47.88 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.228 0.918 . . . . 0.0 113.124 -179.374 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -99.85 153.06 19.45 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 175.644 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -89.29 -122.64 0.06 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.281 1.032 . . . . 0.0 108.497 -173.211 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -81.62 41.97 0.66 Allowed 'General case' 0 CA--C 1.536 0.424 0 O-C-N 120.188 -1.57 . . . . 0.0 111.256 -177.358 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.2 m -153.34 143.21 22.06 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.399 1.48 . . . . 0.0 107.642 -177.427 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.6 mt -112.49 157.56 20.96 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 125.758 1.623 . . . . 0.0 108.867 174.61 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.2 p -86.33 156.56 20.17 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 166.127 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -40.33 73.86 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.043 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -38.18 64.82 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.328 -0.858 . . . . 0.0 110.468 179.368 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -61.62 -43.56 98.64 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.109 0.868 . . . . 0.0 109.511 175.189 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.548 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -52.5 -49.22 65.19 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 169.331 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -53.69 -43.55 69.01 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.892 -1.13 . . . . 0.0 111.199 178.376 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -46.94 88.71 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.576 0.35 . . . . 0.0 110.895 175.659 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 tt -48.54 -52.96 20.11 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 123.604 0.762 . . . . 0.0 109.5 175.107 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.445 HG21 HD12 ' A' ' 53' ' ' ILE . 69.5 mt -57.4 -52.77 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 176.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.72 -39.53 68.32 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.292 0.496 . . . . 0.0 111.395 -174.787 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.11 -53.39 8.96 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 178.225 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -75.32 -64.31 1.09 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 122.243 1.021 . . . . 0.0 109.239 -174.33 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.3 mt -87.06 75.18 9.52 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -174.175 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.4 p -68.57 74.47 0.26 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.369 1.068 . . . . 0.0 110.548 179.231 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 pt -54.72 158.2 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 126.108 1.763 . . . . 0.0 112.325 176.176 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.24 95.9 0.01 OUTLIER Glycine 0 C--N 1.34 0.787 0 C-N-CA 126.147 1.832 . . . . 0.0 112.711 -170.181 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m 45.52 32.74 1.18 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.356 1.462 . . . . 0.0 112.224 -176.045 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.3 mttp 49.88 29.14 3.16 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.932 1.293 . . . . 0.0 113.741 -176.125 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.4 mt -75.16 -30.75 60.82 Favored 'General case' 0 CA--C 1.528 0.13 0 O-C-N 121.677 -0.64 . . . . 0.0 110.491 175.455 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -76.34 33.93 0.13 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.421 1.088 . . . . 0.0 112.26 -171.803 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.54 -42.91 91.4 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 121.31 -0.869 . . . . 0.0 112.359 -168.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.08 -44.54 71.27 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.94 0.4 . . . . 0.0 110.139 176.377 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -62.22 -46.27 89.61 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.102 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.445 HD12 HG21 ' A' ' 38' ' ' ILE . 21.7 mm -51.95 -52.37 23.56 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.624 173.59 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.295 15.2 m -70.47 -32.37 49.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 120.241 1.382 . . . . 0.0 112.646 -173.855 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -56.82 -50.56 72.01 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.205 0.911 . . . . 0.0 109.074 169.093 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tt -60.36 -40.66 91.56 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.449 0.699 . . . . 0.0 112.069 178.253 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -36.62 77.26 Favored 'General case' 0 CA--C 1.523 -0.074 0 O-C-N 121.133 -0.979 . . . . 0.0 109.27 -178.51 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.93 -54.27 48.85 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 169.373 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -52.52 -46.87 66.88 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.013 0.37 . . . . 0.0 111.529 -178.188 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 mt -55.75 -66.16 0.47 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.042 0.537 . . . . 0.0 109.957 171.661 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 p30 -59.72 -22.59 62.25 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -171.521 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.7 ttt85 -52.47 -28.86 21.95 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 125.328 1.451 . . . . 0.0 111.511 175.938 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.408 HD21 ' HA ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -49.13 -29.74 5.72 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 172.543 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -128.39 -63.43 0.99 Allowed 'General case' 0 C--N 1.34 0.175 0 C-N-CA 124.358 1.063 . . . . 0.0 110.44 174.22 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 173.46 -54.2 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 127.45 2.3 . . . . 0.0 109.725 179.229 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -143.23 6.6 1.53 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.108 1.363 . . . . 0.0 111.542 -169.065 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -136.16 154.63 50.91 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.755 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.408 ' HA ' HD21 ' A' ' 63' ' ' ASN . 8.1 t -117.67 114.33 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 124.635 1.174 . . . . 0.0 107.993 177.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -78.74 146.85 33.66 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 120.083 -0.647 . . . . 0.0 109.551 175.384 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -42.01 -55.87 3.01 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -60.54 -42.59 96.82 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.64 -0.662 . . . . 0.0 109.637 -174.65 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -69.8 -35.25 74.68 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.704 0.801 . . . . 0.0 110.077 -177.235 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.09 -53.3 57.63 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.196 0.598 . . . . 0.0 109.66 169.593 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.5 mt -62.94 -43.07 98.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 118.896 0.771 . . . . 0.0 111.4 179.083 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.0 m -49.42 -51.49 35.02 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.331 0.586 . . . . 0.0 109.678 173.773 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -61.25 -43.65 98.53 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.917 -0.563 . . . . 0.0 111.172 177.238 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.3 mt -56.04 -32.3 63.92 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.877 1.217 . . . . 0.0 110.856 175.353 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.11 -48.24 86.87 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 121.593 -0.692 . . . . 0.0 111.49 169.114 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.22 86.27 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.767 -0.843 . . . . 0.0 110.986 173.07 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.22 -44.13 97.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 121.555 -0.715 . . . . 0.0 109.973 179.172 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.09 -45.86 83.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.329 0.652 . . . . 0.0 110.395 172.461 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.5 ttt -60.72 -36.45 78.87 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.748 -0.595 . . . . 0.0 112.19 175.585 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.2 mt -69.91 -42.62 79.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.084 0.954 . . . . 0.0 110.498 176.781 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -52.3 -50.91 61.25 Favored 'General case' 0 C--N 1.342 0.246 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 170.55 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 71.61 -59.47 0.55 Allowed 'General case' 0 C--O 1.23 0.068 0 C-N-CA 126.637 1.975 . . . . 0.0 113.524 168.447 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -52.59 -40.09 62.28 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.329 1.052 . . . . 0.0 109.943 177.205 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.73 -42.07 64.55 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.452 0.701 . . . . 0.0 111.629 173.092 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.1 mt -70.14 -46.06 65.52 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.875 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -58.04 -39.56 78.74 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.557 0.343 . . . . 0.0 111.112 -179.274 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.158 0 CA-C-O 116.952 -2.026 . . . . 0.0 110.122 174.829 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 121.719 0.771 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.87 -53.78 5.35 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 121.771 -0.58 . . . . 0.0 110.531 -170.653 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.95 -48.43 30.12 Favored Pre-proline 0 N--CA 1.451 -0.38 0 C-N-CA 125.369 1.468 . . . . 0.0 113.227 -175.034 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -53.21 -36.8 78.98 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.071 2.514 . . . . 0.0 113.988 176.914 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 62.9 tp -80.33 -48.18 13.37 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 119.146 0.885 . . . . 0.0 109.808 174.266 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -52.55 -44.02 65.56 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 122.253 0.221 . . . . 0.0 110.89 -176.217 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -59.79 -39.05 83.63 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 117.928 0.331 . . . . 0.0 111.329 175.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.06 -54.53 17.65 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.364 0.529 . . . . 0.0 110.009 -176.365 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 25.0 pt -58.13 -43.09 84.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.68 -44.08 22.87 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 125.03 1.3 . . . . 0.0 112.482 170.221 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.421 ' CD1' HD12 ' B' ' 15' ' ' ILE . 0.3 OUTLIER -58.14 -59.17 5.7 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.646 1.178 . . . . 0.0 109.448 -179.727 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -52.58 -48.03 66.48 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.287 0.635 . . . . 0.0 110.456 178.386 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.1 mt -61.92 -50.17 81.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 C-N-CA 123.106 0.562 . . . . 0.0 110.103 -176.634 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.96 -47.91 88.88 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 125.045 1.307 . . . . 0.0 110.023 -177.71 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.421 HD12 ' CD1' ' B' ' 11' ' ' LEU . 8.7 mt -53.16 -55.81 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 174.539 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -52.64 -59.26 4.69 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.167 -176.044 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -69.24 -27.98 65.94 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -172.319 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -59.22 -54.8 42.72 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 170.003 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -62.22 -42.85 99.68 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 119.568 -0.253 . . . . 0.0 111.676 -178.671 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -57.91 -50.7 72.46 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.844 0.747 . . . . 0.0 110.401 173.415 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.74 -42.01 51.79 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.927 1.251 . . . . 0.0 111.322 178.522 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -49.5 -38.83 31.79 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 117.463 0.631 . . . . 0.0 112.054 176.551 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -107.77 25.34 11.65 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.826 0.85 . . . . 0.0 111.274 178.212 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 54.81 28.89 48.7 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.426 1.013 . . . . 0.0 113.406 177.864 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -101.28 157.13 17.01 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.666 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -97.82 -116.25 0.14 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.509 1.124 . . . . 0.0 109.044 -178.059 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -79.6 37.78 0.36 Allowed 'General case' 0 CA--C 1.538 0.49 0 O-C-N 120.946 -1.096 . . . . 0.0 111.772 -174.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 98.7 m -148.9 151.37 34.54 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.762 1.225 . . . . 0.0 108.423 -176.434 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 76.5 mt -128.19 148.6 50.62 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 126.683 1.993 . . . . 0.0 108.05 175.204 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.3 p -84.44 162.98 19.74 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.643 0.656 . . . . 0.0 110.556 168.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -45.45 -54.58 7.19 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.41 1.484 . . . . 0.0 113.189 176.87 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -77.4 -33.48 55.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.768 -172.589 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -60.12 -42.36 94.59 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 171.903 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.524 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.3 tm? -59.34 -49.98 75.72 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 174.178 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -51.44 -49.32 61.91 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.172 -0.955 . . . . 0.0 110.175 176.418 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -55.35 -47.77 75.23 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.644 0.777 . . . . 0.0 111.146 179.243 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 tt -48.21 -53.97 15.14 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 124.239 1.016 . . . . 0.0 108.863 173.677 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 66.2 mt -65.0 -36.54 78.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 O-C-N 121.804 -0.56 . . . . 0.0 112.082 -178.594 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -61.55 -43.26 99.18 Favored 'General case' 0 N--CA 1.456 -0.13 0 O-C-N 121.561 -0.712 . . . . 0.0 109.746 178.264 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -54.13 18.58 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.294 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.9 -57.21 10.49 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.134 0.574 . . . . 0.0 112.151 -172.675 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 27.5 mt -94.93 -42.89 8.43 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 122.61 0.364 . . . . 0.0 110.584 -171.48 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.6 m 58.82 51.64 7.33 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.35 0.595 . . . . 0.0 110.608 177.025 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -57.45 142.77 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -174.56 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -32.76 95.93 0.01 OUTLIER Glycine 0 CA--C 1.527 0.844 0 C-N-CA 127.215 2.34 . . . . 0.0 114.225 -174.093 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.5 m 43.7 34.97 0.92 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.735 1.614 . . . . 0.0 113.279 179.417 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? 56.49 18.45 3.53 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.676 1.19 . . . . 0.0 113.22 -179.493 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.09 -34.64 72.22 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 120.842 -1.161 . . . . 0.0 110.209 179.287 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -80.13 14.64 1.8 Allowed 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 118.411 -0.805 . . . . 0.0 112.678 179.165 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -49.45 -41.31 39.81 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 120.167 1.349 . . . . 0.0 112.472 -175.342 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.33 -47.54 65.97 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.433 0.635 . . . . 0.0 111.092 174.384 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -65.71 -42.01 91.61 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.732 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 47.6 mm -54.48 -49.74 63.43 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 CA-C-O 118.788 -0.625 . . . . 0.0 110.31 174.707 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.275 16.4 m -67.87 -35.54 72.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 119.534 1.061 . . . . 0.0 112.443 -178.533 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -59.09 -55.22 37.82 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.552 1.069 . . . . 0.0 110.217 171.511 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 tt -51.79 -46.66 64.3 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.066 0.946 . . . . 0.0 110.912 176.868 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -63.35 -41.52 98.85 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.31 1.044 . . . . 0.0 109.726 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -58.85 -47.96 83.03 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 174.9 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -57.62 -48.7 78.71 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.826 -0.546 . . . . 0.0 110.582 179.057 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.1 mt -56.34 -53.07 61.62 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.036 0.535 . . . . 0.0 111.335 174.636 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -76.1 -20.81 57.34 Favored 'General case' 0 CA--C 1.527 0.061 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -169.171 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -43.32 -43.45 5.01 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.198 0.999 . . . . 0.0 109.602 175.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -22.33 -57.57 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 127.324 2.25 . . . . 0.0 113.735 168.245 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -138.54 60.99 1.59 Allowed 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 172.25 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.264 3.7 p30 56.37 -63.94 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 127.713 2.405 . . . . 0.0 115.518 175.088 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -123.63 1.89 8.88 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.129 1.772 . . . . 0.0 111.498 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -123.3 138.42 54.63 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.991 1.317 . . . . 0.0 110.448 179.376 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 4.4 t -96.33 139.85 18.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 125.413 1.485 . . . . 0.0 107.489 171.762 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -111.83 147.06 36.54 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.446 1.021 . . . . 0.0 109.572 176.896 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -41.66 -61.21 1.13 Allowed 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -169.48 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -61.66 -37.52 84.36 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.238 -0.914 . . . . 0.0 110.593 -172.63 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -67.51 -39.13 85.11 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.753 0.821 . . . . 0.0 110.156 177.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -54.48 -51.22 65.74 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 119.297 -0.382 . . . . 0.0 110.367 169.774 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 30.1 mm -58.09 -51.1 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 118.684 0.675 . . . . 0.0 110.412 178.149 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 46.6 m -50.15 -50.6 48.36 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.674 0.79 . . . . 0.0 110.108 178.415 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -62.24 -43.87 97.84 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.57 179.936 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 72.2 mt -57.97 -37.45 74.22 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.446 1.021 . . . . 0.0 110.535 174.206 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.7 -54.69 29.22 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 169.031 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.16 -42.37 76.9 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.918 -0.754 . . . . 0.0 111.74 176.76 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.79 -46.71 89.42 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.412 1.085 . . . . 0.0 109.617 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -58.65 -42.4 88.28 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 122.966 0.506 . . . . 0.0 110.387 174.857 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 22.3 ttt -62.55 -42.75 99.73 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 122.157 -0.339 . . . . 0.0 111.543 176.657 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.07 -40.4 83.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 123.8 0.84 . . . . 0.0 109.609 174.366 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -71.97 55.78 0.3 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.36 0.664 . . . . 0.0 110.266 169.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.29 -35.27 69.59 Favored 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 121.13 -0.981 . . . . 0.0 112.028 -169.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -48.72 -39.78 25.98 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.685 0.794 . . . . 0.0 111.647 173.914 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.28 -51.96 60.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 173.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mt -53.46 -39.09 64.2 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 118.926 -0.559 . . . . 0.0 112.237 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -50.48 -37.46 38.7 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.772 0.714 . . . . 0.0 111.247 176.455 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.132 0 CA-C-O 117.23 -1.872 . . . . 0.0 110.36 174.875 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 114.962 1.468 . . . . 0.0 114.962 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -53.97 -45.49 40.65 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.122 2.548 . . . . 0.0 112.777 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.9 tp -72.82 -47.32 47.39 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.246 177.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -51.74 -48.88 63.46 Favored 'General case' 0 C--N 1.337 0.033 0 C-N-CA 122.918 0.487 . . . . 0.0 110.623 -175.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -62.97 -38.63 91.88 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.293 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.18 -52.52 54.4 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.972 -0.455 . . . . 0.0 111.117 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.9 pt -57.59 -46.6 86.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 174.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.3 -45.49 5.26 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 125.014 1.292 . . . . 0.0 112.604 171.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.42 -60.95 2.78 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.161 0.985 . . . . 0.0 110.222 178.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -52.32 -47.39 66.01 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.529 0.732 . . . . 0.0 110.351 178.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.24 -47.76 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.95 -53.27 47.19 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 124.868 1.223 . . . . 0.0 110.169 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.8 mt -49.55 -48.18 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 123.192 0.597 . . . . 0.0 110.213 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -60.86 -60.83 3.18 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.826 0.346 . . . . 0.0 110.783 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -67.08 -28.0 67.82 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -168.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -52.97 -46.43 68.23 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 169.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -80.92 -48.16 12.7 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 118.111 -0.947 . . . . 0.0 111.973 -178.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.9 p -55.54 -41.71 73.59 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 119.992 1.269 . . . . 0.0 110.112 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.164 0 C-N-CA 125.408 1.48 . . . . 0.0 114.157 171.796 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 . . . . . 0 CA--C 1.537 0.451 0 CA-C-O 121.435 0.636 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.0 m -148.32 145.56 28.18 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.377 2.271 . . . . 0.0 105.302 -174.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 tt -148.67 127.45 12.57 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -168.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.9 m -75.81 158.32 32.3 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 119.136 0.88 . . . . 0.0 111.486 -169.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.6 pttt -63.25 -50.52 69.88 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -169.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -64.14 -34.46 78.11 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.872 -1.143 . . . . 0.0 110.267 176.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.3 -40.27 96.89 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.124 0.57 . . . . 0.0 110.151 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.527 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.8 tm? -57.72 -49.03 77.89 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 170.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -55.79 -43.02 76.42 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 119.187 -1.005 . . . . 0.0 110.389 176.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -60.75 -36.78 79.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.968 0.907 . . . . 0.0 111.816 176.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tt -58.73 -57.01 14.9 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 123.889 0.876 . . . . 0.0 109.361 169.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.8 mt -57.18 -53.47 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-O 119.377 -0.345 . . . . 0.0 110.579 -175.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -52.64 -39.47 61.79 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.969 -0.539 . . . . 0.0 112.357 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -80.72 -56.54 4.08 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.673 0.67 . . . . 0.0 110.917 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -73.99 -48.52 29.74 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.569 0.748 . . . . 0.0 111.22 -168.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 177.166 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 CA--C 1.53 0.175 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.62 -46.25 66.97 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.412 0.625 . . . . 0.0 111.116 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -64.19 -43.36 95.31 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.5 mm -57.41 -46.02 85.6 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 CA-C-O 118.423 -0.798 . . . . 0.0 110.988 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.253 14.5 m -70.48 -32.32 49.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 120.232 1.378 . . . . 0.0 112.408 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -61.03 -48.04 83.62 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.529 1.059 . . . . 0.0 109.905 169.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.82 -44.07 81.64 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.323 -0.861 . . . . 0.0 111.038 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.9 ttp -57.38 -51.72 68.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.474 1.11 . . . . 0.0 108.775 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -50.29 -53.44 28.55 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 123.313 0.645 . . . . 0.0 109.798 173.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.89 -40.85 77.01 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.943 0.792 . . . . 0.0 113.064 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.49 -58.66 6.31 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.284 0.493 . . . . 0.0 110.204 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -67.87 -27.37 66.62 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.293 -0.88 . . . . 0.0 112.821 -173.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -49.73 -26.76 4.09 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 126.036 1.735 . . . . 0.0 112.404 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -43.25 -37.37 2.14 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 169.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -148.44 22.11 1.05 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 168.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.301 0.7 OUTLIER 63.36 -43.17 0.22 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 129.142 2.977 . . . . 0.0 116.112 179.093 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -74.24 -52.38 12.53 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.326 -0.859 . . . . 0.0 111.45 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -138.14 156.64 47.54 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.459 0.704 . . . . 0.0 111.436 -169.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 t -80.99 142.79 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 169.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -113.54 142.58 45.78 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 173.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -45.06 -55.84 5.24 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.418 1.087 . . . . 0.0 113.782 -170.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -54.66 -43.22 72.19 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.611 -0.68 . . . . 0.0 110.926 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -69.49 -38.43 77.66 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.799 0.84 . . . . 0.0 109.899 -176.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -54.02 -52.59 60.34 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.257 0.623 . . . . 0.0 109.969 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.1 mm -59.09 -53.65 45.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 118.422 0.556 . . . . 0.0 110.199 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.0 m -51.62 -44.1 62.8 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 121.531 -0.731 . . . . 0.0 111.973 177.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -65.05 -45.23 86.24 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 122.936 0.494 . . . . 0.0 110.173 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.4 mt -56.51 -34.47 67.02 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.865 0.757 . . . . 0.0 110.314 172.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.13 -49.94 64.75 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 168.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.51 -46.03 84.26 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.818 0.809 . . . . 0.0 111.29 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 tp -57.91 -46.5 84.89 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.707 0.803 . . . . 0.0 109.891 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.416 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -58.98 -48.05 82.95 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.561 0.744 . . . . 0.0 110.467 175.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -55.47 -46.19 76.87 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 117.932 0.333 . . . . 0.0 110.776 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 77.9 mt -56.6 -44.91 82.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 174.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -70.82 38.53 0.05 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.635 0.774 . . . . 0.0 112.841 170.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -34.91 -41.72 0.14 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 128.58 2.752 . . . . 0.0 113.804 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -44.33 -48.91 9.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.662 0.785 . . . . 0.0 111.264 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.53 -39.44 76.6 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.797 0.839 . . . . 0.0 111.391 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.452 -0.335 0 C-N-CA 123.596 0.758 . . . . 0.0 109.398 -177.353 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.463 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.81 -40.65 82.68 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.606 2.204 . . . . 0.0 112.607 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 52.0 tp -79.68 -44.11 21.48 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -49.48 -49.14 46.84 Favored 'General case' 0 C--O 1.227 -0.096 0 C-N-CA 123.853 0.861 . . . . 0.0 110.641 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -59.88 -39.54 85.64 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.433 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.71 -54.11 18.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.817 -0.552 . . . . 0.0 111.253 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.5 pt -58.07 -42.65 83.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.87 -45.14 18.87 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 125.613 1.578 . . . . 0.0 111.995 171.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -60.73 3.28 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.009 0.905 . . . . 0.0 110.307 178.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -51.05 -47.18 61.8 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.504 0.722 . . . . 0.0 110.212 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.416 HD11 ' HB1' ' A' ' 81' ' ' ALA . 61.4 mt -60.42 -47.95 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.626 0.77 . . . . 0.0 110.065 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.25 -54.3 38.41 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 124.883 1.23 . . . . 0.0 110.124 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.2 mt -50.61 -49.83 24.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -57.75 -59.02 5.85 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.769 -0.196 . . . . 0.0 111.13 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -69.62 -31.88 70.27 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 122.043 -0.411 . . . . 0.0 111.691 -170.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -51.52 -50.24 60.36 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 169.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -65.6 -51.56 58.74 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 117.399 -1.286 . . . . 0.0 112.428 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.6 m -45.83 -43.59 13.54 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 120.505 1.502 . . . . 0.0 110.864 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.697 0 C-N-CA 125.503 1.525 . . . . 0.0 114.186 170.005 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 . . . . . 0 C--O 1.235 0.305 0 CA-C-O 122.476 1.131 . . . . 0.0 108.99 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.33 160.06 40.71 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 126.87 2.068 . . . . 0.0 107.379 -173.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 70.5 mt -133.48 131.36 39.77 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 170.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 49.0 m -77.93 154.68 31.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 119.047 0.839 . . . . 0.0 109.539 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -52.47 -44.66 65.71 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -168.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -80.53 -29.7 37.17 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.231 -0.918 . . . . 0.0 111.786 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -59.63 -42.7 93.29 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 173.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.518 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.1 tm? -55.09 -50.46 69.11 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.268 0.627 . . . . 0.0 110.228 170.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -52.3 -47.42 65.94 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.574 1.079 . . . . 0.0 109.948 175.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -45.13 81.37 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.52 0.6 . . . . 0.0 110.657 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 tt -49.35 -55.91 11.32 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 122.88 0.472 . . . . 0.0 110.194 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.415 ' CD1' HD21 ' B' ' 56' ' ' LEU . 47.2 mt -62.19 -50.68 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.305 -175.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -53.57 -42.08 67.19 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.488 0.585 . . . . 0.0 110.846 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -53.74 13.07 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -73.45 -62.87 1.33 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -175.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 -179.705 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 C--O 1.224 -0.249 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.54 -50.06 60.77 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.264 0.554 . . . . 0.0 111.359 171.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.91 -43.69 98.12 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 36.5 mm -55.68 -43.9 75.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 118.595 -0.717 . . . . 0.0 110.823 177.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.264 13.1 m -69.2 -37.13 75.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-N 119.997 1.271 . . . . 0.0 112.486 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -58.66 -51.67 68.93 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.3 0.954 . . . . 0.0 109.777 172.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.415 HD21 ' CD1' ' B' ' 38' ' ' ILE . 2.5 tt -54.33 -45.67 72.73 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.789 0.836 . . . . 0.0 111.047 176.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -61.92 -44.64 96.36 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.094 0.958 . . . . 0.0 109.834 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -54.29 -53.01 59.52 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 172.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -56.94 -39.2 74.09 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.3 mt -63.54 -56.18 17.99 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.26 0.624 . . . . 0.0 111.192 173.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.63 -26.25 59.76 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.428 -0.795 . . . . 0.0 112.854 -171.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 . . . . . 0 C--O 1.233 0.203 0 C-N-CA 123.254 0.622 . . . . 0.0 110.554 -174.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -94.97 117.32 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 C-N-CA 125.753 1.621 . . . . 0.0 107.467 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -78.81 148.58 32.85 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 170.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -39.69 -54.18 2.09 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -66.11 -32.84 74.53 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 120.821 -1.175 . . . . 0.0 111.289 -176.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -69.44 -40.22 77.34 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -55.24 -53.95 49.57 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.111 0.564 . . . . 0.0 110.15 170.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 31.9 mm -55.83 -54.33 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 118.229 0.468 . . . . 0.0 110.141 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 72.7 m -49.07 -51.82 29.22 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.9 0.88 . . . . 0.0 110.804 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -62.7 -42.0 99.42 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 119.198 -0.43 . . . . 0.0 110.863 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 70.6 mt -57.49 -35.04 69.7 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.504 1.047 . . . . 0.0 110.061 172.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.87 -51.49 57.84 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 168.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.04 -42.96 73.31 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.689 -0.889 . . . . 0.0 111.047 175.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.33 -44.77 96.64 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.438 1.095 . . . . 0.0 109.745 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.78 -45.18 86.35 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.165 0.586 . . . . 0.0 110.759 173.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 16.9 tpt -60.69 -43.23 98.01 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.093 -0.379 . . . . 0.0 111.293 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 71.3 mt -58.87 -44.08 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -73.32 54.46 0.43 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.379 0.672 . . . . 0.0 109.983 169.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -56.56 -32.6 65.33 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.336 -0.852 . . . . 0.0 112.698 -169.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -51.93 -39.82 59.77 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.067 0.547 . . . . 0.0 111.74 173.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.65 -39.91 95.37 Favored 'General case' 0 N--CA 1.458 -0.067 0 C-N-CA 123.118 0.567 . . . . 0.0 110.44 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.3 mt -64.89 -52.94 53.82 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -68.3 -37.19 80.39 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 117.302 -1.832 . . . . 0.0 110.463 177.703 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.445 -0.706 0 CA-C-O 117.545 -1.217 . . . . 0.0 113.036 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.84 -53.4 5.6 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.458 2.105 . . . . 0.0 112.826 -175.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -70.12 -44.94 67.92 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.002 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -53.59 -47.8 69.81 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 122.925 0.49 . . . . 0.0 111.092 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -62.68 -38.92 92.26 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.359 0.527 . . . . 0.0 110.839 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.07 -54.26 27.99 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 121.919 -0.488 . . . . 0.0 111.303 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.3 pt -57.9 -41.98 81.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-N 118.796 0.725 . . . . 0.0 109.104 175.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.0 -44.07 13.48 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 125.389 1.471 . . . . 0.0 112.444 169.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.94 -60.41 3.9 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.295 1.047 . . . . 0.0 109.901 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -52.11 -47.34 65.33 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.496 0.718 . . . . 0.0 110.245 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.441 HD11 ' HB1' ' B' ' 81' ' ' ALA . 59.4 mt -60.22 -54.53 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.187 0.995 . . . . 0.0 109.585 -178.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.29 -55.26 22.79 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 125.077 1.323 . . . . 0.0 109.989 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.8 mt -50.8 -54.72 8.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 117.512 0.656 . . . . 0.0 109.53 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -57.49 -58.37 8.58 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.79 -174.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.72 -31.55 68.44 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 122.109 -0.369 . . . . 0.0 110.942 -171.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -58.98 -50.53 73.72 Favored 'General case' 0 CA--C 1.527 0.061 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 173.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.409 ' CE2' ' HA ' ' A' ' 37' ' ' LEU . 3.0 m-85 -60.36 -46.21 90.75 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.406 175.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.1 t -54.95 -34.23 63.05 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.15 0.432 . . . . 0.0 110.66 175.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 C-N-CA 124.88 1.229 . . . . 0.0 112.921 171.692 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 111.709 0.262 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.4 p -147.6 138.89 23.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.909 1.684 . . . . 0.0 108.72 -177.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.2 mt -116.43 140.27 49.54 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 168.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.9 t -78.19 154.39 31.16 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 120.339 1.427 . . . . 0.0 108.519 169.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -53.18 -41.5 65.3 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.569 0.748 . . . . 0.0 112.959 -172.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -70.97 -32.33 69.15 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.986 -1.072 . . . . 0.0 111.147 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -63.61 -43.76 95.96 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.563 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.5 tm? -54.82 -49.2 71.6 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.762 0.425 . . . . 0.0 110.084 171.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -52.62 -50.47 63.04 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.014 -1.054 . . . . 0.0 110.341 176.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -56.5 -39.78 73.88 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.059 0.944 . . . . 0.0 111.745 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.409 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 5.3 tt -57.38 -56.21 24.85 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 123.906 0.882 . . . . 0.0 109.854 171.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.9 mt -56.87 -43.37 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 119.115 -0.469 . . . . 0.0 110.785 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -53.97 -48.62 70.14 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 117.981 0.355 . . . . 0.0 110.318 -175.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -75.57 -59.07 2.91 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.221 0.534 . . . . 0.0 110.173 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -67.38 -37.69 83.57 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -166.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 mp . . . . . 0 CA--C 1.537 0.446 0 CA-C-N 118.31 0.505 . . . . 0.0 110.836 172.762 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 C--O 1.222 -0.377 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.39 -49.47 54.36 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.482 0.583 . . . . 0.0 111.529 174.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.79 -43.21 96.99 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.3 mm -56.12 -45.65 80.75 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.806 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.256 17.1 m -72.24 -32.41 42.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 119.629 1.104 . . . . 0.0 112.259 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -58.56 -53.99 52.12 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.471 1.032 . . . . 0.0 109.128 169.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tt -54.73 -43.52 72.72 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.246 0.618 . . . . 0.0 111.142 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.1 ttp -59.28 -47.25 86.09 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 124.175 0.99 . . . . 0.0 109.148 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.07 -48.36 76.21 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -58.04 -47.13 84.03 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.349 0.26 . . . . 0.0 111.33 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mt -56.87 -64.58 0.83 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.61 0.719 . . . . 0.0 109.991 172.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -62.91 -19.3 64.07 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.637 1.175 . . . . 0.0 113.28 -170.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -43.28 -40.9 3.71 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 124.501 1.121 . . . . 0.0 111.695 174.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.469 HD21 ' HA ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -44.39 -40.18 5.22 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 175.542 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -161.41 62.22 0.27 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.689 1.196 . . . . 0.0 109.391 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.292 49.3 p-10 26.26 -72.9 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 129.466 3.107 . . . . 0.0 118.167 177.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -80.18 -11.72 59.72 Favored 'General case' 0 C--O 1.238 0.463 0 O-C-N 121.084 -1.01 . . . . 0.0 112.776 -176.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -149.26 166.72 28.09 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.905 0.859 . . . . 0.0 113.144 -169.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.469 ' HA ' HD21 ' A' ' 63' ' ' ASN . 11.4 t -119.9 115.66 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 128.003 2.521 . . . . 0.0 106.895 176.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -78.76 147.33 33.4 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 172.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -43.9 -54.59 5.19 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.512 1.125 . . . . 0.0 113.638 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -53.82 -42.0 67.94 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.789 -0.569 . . . . 0.0 110.531 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -72.56 -39.71 67.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.379 1.072 . . . . 0.0 109.81 -175.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -53.11 -52.76 57.61 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.185 0.594 . . . . 0.0 109.819 169.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.1 mm -58.06 -50.72 77.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-N 118.25 0.477 . . . . 0.0 110.112 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.9 m -49.95 -47.98 52.29 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.467 0.707 . . . . 0.0 110.991 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -66.62 -44.09 83.01 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 119.054 -0.498 . . . . 0.0 110.767 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.6 mt -55.6 -36.53 67.03 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.48 1.036 . . . . 0.0 109.998 174.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.45 -53.46 41.0 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 168.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.86 -46.82 68.03 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 117.872 0.836 . . . . 0.0 111.281 174.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.2 tp -57.68 -45.48 85.55 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.525 1.13 . . . . 0.0 110.046 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.02 96.36 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.828 0.451 . . . . 0.0 111.044 175.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.1 tmm? -56.98 -46.83 81.95 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 122.1 -0.375 . . . . 0.0 109.997 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.94 -43.58 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 125.2 1.4 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -50.71 -54.8 20.26 Favored 'General case' 0 C--N 1.342 0.25 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 171.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 68.94 -54.58 0.56 Allowed 'General case' 0 CA--C 1.527 0.078 0 C-N-CA 126.976 2.11 . . . . 0.0 113.992 171.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -49.89 -42.01 46.98 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.854 0.862 . . . . 0.0 110.039 173.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.35 -44.04 61.96 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.478 0.711 . . . . 0.0 111.632 172.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 21.9 mt . . . . . 0 N--CA 1.456 -0.173 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 176.846 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.446 -0.65 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -58.05 -41.79 64.45 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.943 1.762 . . . . 0.0 113.893 -173.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 60.2 tp -80.05 -46.97 15.61 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.5 -35.22 69.95 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 119.409 -0.329 . . . . 0.0 111.709 -170.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -62.44 -40.72 97.48 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.652 0.66 . . . . 0.0 111.783 173.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.01 -51.4 39.58 Favored 'General case' 0 CA--C 1.519 -0.239 0 O-C-N 121.631 -0.668 . . . . 0.0 110.402 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 pt -56.79 -44.89 82.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 118.915 -1.114 . . . . 0.0 108.222 172.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.44 -44.48 5.16 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.726 1.155 . . . . 0.0 112.651 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -62.09 2.02 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 117.979 0.89 . . . . 0.0 110.624 177.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -49.57 -49.73 45.27 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.08 0.952 . . . . 0.0 109.747 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.76 -50.75 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.295 -176.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.85 -54.78 32.78 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.8 mt -49.84 -54.82 6.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -57.27 -62.51 1.71 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 120.957 0.408 . . . . 0.0 111.671 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.89 -30.69 69.24 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.642 -0.661 . . . . 0.0 111.7 -168.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -60.12 -47.24 86.73 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.777 0.717 . . . . 0.0 109.458 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -58.59 -46.56 86.71 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 118.398 -0.81 . . . . 0.0 111.338 174.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.5 p -50.51 -48.71 56.89 Favored 'General case' 0 C--N 1.341 0.206 0 CA-C-N 118.829 0.741 . . . . 0.0 109.678 177.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 C-N-CA 125.973 1.749 . . . . 0.0 114.531 175.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 37.6 p -149.18 134.73 18.58 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.59 1.156 . . . . 0.0 109.9 -172.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 58.3 mt -110.23 146.59 35.35 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 168.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.2 p -78.44 155.82 29.71 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.429 1.013 . . . . 0.0 108.877 168.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -57.64 -42.13 82.79 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.467 -0.771 . . . . 0.0 112.579 -173.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -67.8 -37.52 82.12 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.774 -1.204 . . . . 0.0 110.729 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.0 -40.37 88.99 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.496 -0.753 . . . . 0.0 110.346 175.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.513 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.9 tm? -54.81 -49.03 71.99 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 170.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -54.11 -40.61 67.47 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.092 -1.005 . . . . 0.0 111.349 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.3 -47.87 82.37 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 122.225 0.21 . . . . 0.0 110.534 176.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 tt -50.39 -52.02 41.05 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 124.052 0.941 . . . . 0.0 109.715 175.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 39.8 mt -59.75 -52.32 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 122.59 0.356 . . . . 0.0 110.506 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -61.13 -28.55 69.18 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -76.34 -62.47 1.61 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.577 0.626 . . . . 0.0 111.173 170.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -66.54 -56.92 8.56 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.583 0.353 . . . . 0.0 110.802 -170.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 89.4 mt . . . . . 0 C--N 1.33 -0.253 0 C-N-CA 123.024 0.53 . . . . 0.0 110.272 -171.844 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 CA--C 1.531 0.212 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.45 -48.92 56.32 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.044 0.537 . . . . 0.0 111.425 173.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -64.06 -41.7 97.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 42.7 mm -57.64 -46.18 86.5 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 CA-C-O 118.656 -0.687 . . . . 0.0 110.794 177.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.9 m -70.03 -34.3 59.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 119.827 1.194 . . . . 0.0 112.078 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -58.64 -52.8 64.12 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.839 0.745 . . . . 0.0 109.71 171.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tt -55.72 -44.79 77.82 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.016 0.927 . . . . 0.0 111.059 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 39.7 ttp -56.08 -51.31 68.31 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.341 1.056 . . . . 0.0 109.021 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -54.39 -50.55 67.27 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -60.2 -26.7 66.58 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.22 -60.99 1.98 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.755 0.707 . . . . 0.0 110.445 169.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -67.29 -31.4 71.69 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -170.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 12.1 ptt85 . . . . . 0 C--N 1.339 0.133 0 CA-C-N 118.947 0.794 . . . . 0.0 111.724 -169.289 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 104.309 -2.478 . . . . 0.0 104.309 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 9.5 t -94.15 107.47 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -78.76 148.83 32.83 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -46.36 -57.25 4.79 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.872 1.269 . . . . 0.0 114.058 -169.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -61.9 -37.02 83.02 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 119.247 -0.981 . . . . 0.0 110.561 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -64.93 -41.39 95.57 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.18 0.592 . . . . 0.0 110.061 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -52.48 -55.52 21.42 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.004 0.365 . . . . 0.0 110.445 170.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 20.8 mm -56.26 -51.34 64.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 120.979 0.418 . . . . 0.0 110.038 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 75.2 m -52.67 -50.41 63.31 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 124.264 1.026 . . . . 0.0 110.202 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -62.03 -43.53 98.64 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 119.144 -0.455 . . . . 0.0 110.777 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 74.2 mt -56.14 -37.06 68.98 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.29 0.95 . . . . 0.0 110.128 173.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.18 -48.87 76.63 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 169.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.83 -48.96 76.83 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.259 1.03 . . . . 0.0 110.855 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.2 tp -53.84 -49.34 68.66 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.178 1.391 . . . . 0.0 109.506 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.441 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -59.14 -43.32 92.0 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.755 0.822 . . . . 0.0 111.305 176.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 22.5 ttt -64.62 -41.46 96.18 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.097 0.559 . . . . 0.0 110.638 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 72.2 mt -59.6 -42.29 87.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 173.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -73.26 56.43 0.47 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.113 0.565 . . . . 0.0 111.207 170.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -47.65 -38.12 14.19 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.399 1.48 . . . . 0.0 111.57 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -48.21 -46.26 34.93 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.136 0.974 . . . . 0.0 111.359 174.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.75 -41.29 98.05 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 117.994 0.361 . . . . 0.0 110.61 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 9.5 mt -65.14 -49.33 70.31 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.015 0.526 . . . . 0.0 110.257 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -47.81 75.07 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.8 0.44 . . . . 0.0 110.955 175.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.228 0 CA-C-O 117.03 -1.984 . . . . 0.0 111.448 -179.073 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 CA--C 1.536 0.406 0 CA-C-O 117.392 -1.289 . . . . 0.0 114.235 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.53 -53.98 5.95 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 123.317 2.678 . . . . 0.0 112.611 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.5 tp -66.1 -46.55 77.22 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 121.314 -0.866 . . . . 0.0 109.817 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -52.39 -50.46 62.43 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 122.535 0.334 . . . . 0.0 110.814 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -61.66 -39.05 89.98 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.194 0.452 . . . . 0.0 110.863 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.49 -55.22 22.12 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.807 -0.558 . . . . 0.0 111.799 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.8 pt -57.32 -42.42 80.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 118.899 0.772 . . . . 0.0 108.945 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.73 -43.74 16.44 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 125.682 1.61 . . . . 0.0 112.739 170.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.5 -60.5 3.7 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.464 1.132 . . . . 0.0 109.657 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -52.08 -48.67 64.57 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.872 0.869 . . . . 0.0 110.152 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.4 -51.81 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -177.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.12 -51.25 58.56 Favored Glycine 0 CA--C 1.522 0.507 0 C-N-CA 124.698 1.142 . . . . 0.0 110.308 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mt -52.13 -57.6 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -55.57 -52.53 63.42 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 120.933 0.397 . . . . 0.0 111.142 -174.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -74.66 -25.66 59.34 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 118.698 -0.668 . . . . 0.0 112.082 -172.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -60.06 -57.56 12.31 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 169.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -63.11 -39.59 95.14 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.882 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 m -62.27 -55.36 29.08 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 174.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.779 0 C-N-CA 125.491 1.52 . . . . 0.0 112.201 178.812 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 m170 . . . . . 0 CA--C 1.538 0.508 0 CA-C-O 120.748 0.309 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.0 p -152.3 126.45 9.19 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.6 1.16 . . . . 0.0 110.181 -169.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.3 mt -97.41 135.28 39.52 Favored 'General case' 0 C--O 1.227 -0.12 0 O-C-N 123.862 0.726 . . . . 0.0 110.352 174.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.7 m -78.09 151.81 33.2 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 168.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -54.23 -47.04 72.64 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -168.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -69.1 -31.28 69.88 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.345 -0.847 . . . . 0.0 111.158 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.63 -43.8 92.54 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 173.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.528 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.3 tm? -55.29 -48.18 74.44 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.685 0.394 . . . . 0.0 110.158 171.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -55.53 -42.99 75.34 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 120.354 -1.466 . . . . 0.0 111.196 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.56 -46.23 89.51 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 122.585 0.354 . . . . 0.0 110.228 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tt -51.43 -54.29 28.36 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 123.867 0.867 . . . . 0.0 109.497 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.2 mt -62.14 -55.41 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.646 -175.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -53.32 -42.24 66.49 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 118.75 -0.643 . . . . 0.0 111.368 -176.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -74.89 -58.95 2.97 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.136 -0.625 . . . . 0.0 110.881 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -68.58 -46.69 68.73 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 122.041 -0.412 . . . . 0.0 111.829 -167.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 CA--C 1.538 0.502 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.949 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 C--O 1.224 -0.263 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.81 -48.27 59.74 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.248 0.547 . . . . 0.0 111.362 174.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -65.08 -42.47 94.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 42.1 mm -56.68 -47.89 81.67 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.583 176.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.6 m -68.15 -36.04 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 120.054 1.297 . . . . 0.0 112.061 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -57.56 -51.2 70.45 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.683 1.129 . . . . 0.0 109.934 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 tt -57.49 -44.59 85.08 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.28 0.632 . . . . 0.0 111.32 177.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -38.74 92.29 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.533 -0.729 . . . . 0.0 109.814 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.61 -46.57 89.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 172.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -56.54 -48.92 76.25 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.354 0.524 . . . . 0.0 111.102 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mt -52.19 -62.45 1.63 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.439 0.695 . . . . 0.0 109.553 172.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -68.33 -19.92 64.69 Favored 'General case' 0 C--O 1.225 -0.187 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -171.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -52.93 -32.26 44.61 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.182 0.901 . . . . 0.0 110.506 172.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.97 -23.15 55.32 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 119.307 -0.377 . . . . 0.0 112.007 178.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -165.43 91.93 0.53 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.117 1.367 . . . . 0.0 108.242 -177.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -62.18 -36.11 80.9 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -168.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -64.28 -57.73 8.58 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.472 0.654 . . . . 0.0 111.123 -169.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -160.87 132.99 5.93 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.5 m -77.77 117.67 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -168.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -78.97 149.53 32.24 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.298 -175.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -41.17 -51.11 3.51 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.758 1.223 . . . . 0.0 113.843 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -58.71 -47.35 84.86 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.452 -0.78 . . . . 0.0 109.984 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -66.38 -37.98 86.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.66 0.384 . . . . 0.0 110.145 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -54.22 -54.37 40.82 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.95 0.5 . . . . 0.0 110.625 170.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.9 mm -58.23 -48.47 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 118.914 0.779 . . . . 0.0 110.267 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.0 m -50.69 -51.78 46.25 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.259 0.624 . . . . 0.0 110.004 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.22 -43.48 98.8 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 122.991 0.516 . . . . 0.0 110.793 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.06 -33.05 68.62 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.134 0.879 . . . . 0.0 110.813 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.43 -50.08 67.84 Favored Glycine 0 CA--C 1.532 1.12 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 168.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.84 66.62 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 122.274 -0.545 . . . . 0.0 110.479 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.0 tp -53.45 -46.52 69.92 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.043 1.337 . . . . 0.0 110.356 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.3 -52.53 64.96 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.213 0.605 . . . . 0.0 110.667 177.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . 0.289 3.6 ppp? -67.12 -25.9 66.42 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 119.511 -0.876 . . . . 0.0 112.427 177.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 mp -59.09 -43.18 88.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 168.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -74.72 51.52 0.48 Allowed 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.605 -0.685 . . . . 0.0 110.668 169.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -44.79 -42.91 8.21 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 126.397 1.879 . . . . 0.0 112.639 -173.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -53.37 -37.17 62.15 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.27 0.628 . . . . 0.0 111.815 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.14 -35.49 77.24 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.001 0.52 . . . . 0.0 111.396 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -177.262 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.541 0.604 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -64.12 -32.01 64.17 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 CA-C-N 121.293 1.498 . . . . 0.0 113.839 -170.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.1 tp -81.76 -47.44 12.89 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.925 0.784 . . . . 0.0 109.397 169.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -50.16 -42.27 50.62 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 123.867 0.867 . . . . 0.0 111.846 -174.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -53.92 -44.16 70.35 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.361 0.528 . . . . 0.0 111.568 175.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.85 -53.18 19.27 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.737 -0.602 . . . . 0.0 110.71 -173.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 40.2 pt -57.29 -40.51 74.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 173.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.84 -42.03 28.75 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 125.821 1.676 . . . . 0.0 111.968 171.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -59.52 5.28 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.141 0.971 . . . . 0.0 109.932 176.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -50.72 -47.13 59.29 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.34 0.656 . . . . 0.0 110.326 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.1 mt -61.02 -53.1 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.858 0.863 . . . . 0.0 109.588 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.4 -51.25 48.8 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 124.932 1.253 . . . . 0.0 110.702 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 mt -52.88 -60.95 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 175.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -50.14 -54.9 17.54 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 121.05 0.453 . . . . 0.0 111.333 -174.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -72.62 -25.93 61.49 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.154 0.582 . . . . 0.0 112.399 -174.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -64.07 -50.0 70.09 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.459 1.027 . . . . 0.0 108.71 169.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -64.97 -42.34 94.65 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.878 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 51.6 p -63.46 -44.74 93.61 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 119.621 1.1 . . . . 0.0 108.784 172.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.558 0 C-N-CA 126.415 1.96 . . . . 0.0 112.423 170.263 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 69.0 p -134.33 158.41 43.88 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.317 1.447 . . . . 0.0 109.269 176.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 52.9 mt -123.75 141.59 51.88 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 169.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 18.3 t -76.28 146.93 38.59 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 169.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.33 -36.06 63.37 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -172.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -77.4 -30.62 53.67 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.046 -1.034 . . . . 0.0 111.029 176.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.7 -42.5 97.95 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.266 -0.896 . . . . 0.0 108.672 171.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.554 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.6 tm? -54.54 -49.46 70.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 170.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -51.81 -46.2 64.17 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.837 1.199 . . . . 0.0 111.062 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.1 -50.17 71.8 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 tt -49.02 -54.48 15.55 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 124.385 1.074 . . . . 0.0 110.542 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -59.76 -58.57 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -56.87 -35.82 69.36 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.469 0.577 . . . . 0.0 110.955 -174.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -79.86 -44.99 19.47 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -76.07 -68.67 0.56 Allowed 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 176.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -177.836 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 C--O 1.226 -0.182 0 CA-C-O 119.246 -0.407 . . . . 0.0 111.411 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.86 -50.18 64.3 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.51 0.671 . . . . 0.0 111.08 170.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -63.93 -42.06 97.46 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 33.9 mm -56.55 -45.2 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.853 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.279 13.7 m -67.17 -37.09 78.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 120.242 1.383 . . . . 0.0 112.369 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -58.54 -51.48 69.71 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.144 0.884 . . . . 0.0 110.221 172.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 tt -56.76 -43.88 81.21 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.631 -0.668 . . . . 0.0 111.181 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -59.95 -44.46 94.4 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 124.355 1.062 . . . . 0.0 110.078 177.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -57.39 -48.98 77.64 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 173.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -58.84 -44.14 90.88 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 122.097 -0.377 . . . . 0.0 111.544 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mt -58.89 -57.09 14.58 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.423 0.63 . . . . 0.0 110.016 171.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.25 -16.51 64.08 Favored 'General case' 0 N--CA 1.458 -0.048 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 -172.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 . . . . . 0 C--N 1.342 0.264 0 C-N-CA 125.864 1.665 . . . . 0.0 110.404 168.813 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 4.8 t -93.75 148.58 4.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 127.708 2.403 . . . . 0.0 106.426 168.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.38 152.68 25.96 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 119.382 0.992 . . . . 0.0 110.02 170.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -42.15 -54.98 3.43 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.099 1.36 . . . . 0.0 113.625 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -58.95 -46.89 86.91 Favored 'General case' 0 N--CA 1.457 -0.079 0 O-C-N 121.637 -0.664 . . . . 0.0 109.951 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -63.45 -42.29 98.65 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -52.74 -54.95 26.57 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.082 0.553 . . . . 0.0 111.077 173.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 33.1 mm -58.53 -51.57 70.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 119.27 0.941 . . . . 0.0 110.373 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 37.4 m -53.15 -48.07 68.24 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.63 0.728 . . . . 0.0 110.001 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -62.7 -43.57 98.46 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 123.88 0.872 . . . . 0.0 110.409 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 71.2 mt -56.86 -33.5 66.89 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.363 0.983 . . . . 0.0 110.449 173.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.47 -50.71 64.14 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 169.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.55 75.57 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.612 -0.934 . . . . 0.0 111.136 173.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 tp -61.9 -43.25 99.24 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.884 0.874 . . . . 0.0 110.2 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.48 -44.7 76.74 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.247 0.619 . . . . 0.0 110.415 171.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 63.0 mtm -64.4 -38.26 90.41 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 175.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.99 -42.21 92.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -74.71 53.61 0.58 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.636 0.774 . . . . 0.0 109.313 169.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -51.34 -39.33 56.78 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 125.332 1.453 . . . . 0.0 113.555 -167.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -44.37 -45.51 8.92 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.109 0.964 . . . . 0.0 111.125 174.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.26 -33.46 67.62 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.463 0.705 . . . . 0.0 111.966 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 45.6 mt -62.59 -40.86 98.25 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.19 0.45 . . . . 0.0 109.926 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -76.87 -46.57 24.13 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 116.978 -2.012 . . . . 0.0 109.576 177.139 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 117.746 -1.121 . . . . 0.0 113.445 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -53.7 -45.92 37.51 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 122.657 2.238 . . . . 0.0 112.625 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.9 tp -73.53 -46.31 48.46 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 120.071 -0.652 . . . . 0.0 109.247 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -51.87 -48.47 64.03 Favored 'General case' 0 CA--C 1.527 0.067 0 C-N-CA 123.204 0.602 . . . . 0.0 110.666 -176.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -61.74 -38.52 88.27 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 117.929 0.331 . . . . 0.0 111.087 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.97 -53.9 27.12 Favored 'General case' 0 N--CA 1.455 -0.195 0 O-C-N 121.736 -0.603 . . . . 0.0 111.194 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.8 pt -57.38 -44.68 84.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 174.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.13 -42.05 16.04 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 125.604 1.573 . . . . 0.0 112.35 172.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -60.39 3.85 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.963 0.905 . . . . 0.0 109.932 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -51.79 -47.0 64.42 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.243 0.617 . . . . 0.0 110.184 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.6 mt -60.29 -53.32 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.394 0.678 . . . . 0.0 109.716 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.81 -50.35 61.47 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 125.068 1.318 . . . . 0.0 110.224 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.1 mt -50.96 -61.71 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -50.66 -53.63 29.51 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 121.255 0.55 . . . . 0.0 111.452 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -75.21 -24.52 57.76 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.972 -0.537 . . . . 0.0 111.834 -171.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -63.06 -53.73 49.21 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.243 0.928 . . . . 0.0 109.073 169.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -63.1 -39.6 95.19 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 122.205 -0.309 . . . . 0.0 111.332 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -59.68 -48.45 81.64 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 172.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.613 0 C-N-CA 125.839 1.685 . . . . 0.0 112.206 174.421 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.5 m170 . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.7 p -148.32 118.49 7.27 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 125.516 1.526 . . . . 0.0 109.393 -174.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.8 mt -90.03 143.49 26.73 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 169.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.3 p -78.63 157.34 28.71 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 168.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -51.35 -47.04 62.88 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.259 0.552 . . . . 0.0 111.738 -176.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -73.51 -34.15 65.12 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.545 -0.722 . . . . 0.0 110.884 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.52 -44.81 95.45 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 121.741 -0.599 . . . . 0.0 109.809 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.566 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.8 tm? -54.09 -48.96 70.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 170.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -55.19 -44.86 75.69 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 120.911 -1.118 . . . . 0.0 110.636 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.99 -51.55 65.86 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.388 0.675 . . . . 0.0 110.431 175.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -44.33 -53.27 6.91 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 124.685 1.194 . . . . 0.0 110.197 171.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 54.8 mt -65.76 -44.46 93.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 O-C-N 121.685 -0.635 . . . . 0.0 111.787 -177.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -59.82 -43.81 94.34 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.607 -0.683 . . . . 0.0 110.606 178.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -80.11 -38.48 31.5 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.981 -0.449 . . . . 0.0 111.915 -173.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -80.14 -61.21 2.05 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 122.791 0.436 . . . . 0.0 110.62 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 N--CA 1.463 0.181 0 O-C-N 121.589 -0.694 . . . . 0.0 110.294 -169.748 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 CA--C 1.532 0.25 0 N-CA-C 110.801 -0.074 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.53 -47.56 57.5 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.557 0.743 . . . . 0.0 111.285 173.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -64.22 -42.23 96.67 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.9 mm -56.63 -48.81 80.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.422 175.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.256 14.6 m -69.42 -31.99 51.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 119.846 1.203 . . . . 0.0 112.369 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -58.81 -53.11 62.07 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.205 0.911 . . . . 0.0 109.748 169.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.93 -44.18 74.04 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.222 1.009 . . . . 0.0 111.038 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.1 ttp -57.77 -49.84 75.25 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.443 1.097 . . . . 0.0 108.616 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -56.38 -48.04 77.69 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -56.03 -47.33 78.04 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.886 0.474 . . . . 0.0 111.523 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.33 -62.58 1.67 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.014 0.526 . . . . 0.0 110.017 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.1 -19.78 65.69 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -171.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -34.97 -53.44 0.57 Allowed 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 126.468 1.907 . . . . 0.0 110.949 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.595 HD21 ' HA ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -40.92 -38.24 0.93 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.932 1.293 . . . . 0.0 113.504 -178.106 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -147.16 59.13 1.17 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 13.61 82.93 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.653 2.381 . . . . 0.0 114.33 171.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 104.51 -15.43 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 128.703 2.801 . . . . 0.0 113.288 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -117.07 137.96 51.93 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.983 0.913 . . . . 0.0 109.619 172.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.595 ' HA ' HD21 ' A' ' 63' ' ' ASN . 13.8 p -107.86 112.65 41.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 123.218 0.607 . . . . 0.0 109.47 168.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -79.48 150.95 31.06 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.185 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -45.74 -50.73 13.54 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.498 1.119 . . . . 0.0 113.794 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -60.67 -41.06 94.3 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.371 -0.831 . . . . 0.0 110.586 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -74.99 -34.1 61.93 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.927 0.491 . . . . 0.0 110.872 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -55.68 -53.97 49.99 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 169.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.7 mm -56.06 -52.43 50.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.0 m -49.94 -51.59 39.97 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.607 0.363 . . . . 0.0 111.106 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.96 -42.97 99.72 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.717 0.407 . . . . 0.0 110.871 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.4 mt -57.07 -36.58 70.71 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.193 0.906 . . . . 0.0 110.102 173.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.66 -50.18 64.99 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 168.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.28 -44.25 79.6 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.21 1.005 . . . . 0.0 111.395 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 tp -58.59 -47.87 82.85 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.331 1.053 . . . . 0.0 109.517 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.466 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -59.14 -42.45 90.72 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.436 0.694 . . . . 0.0 111.223 175.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -61.09 -46.26 91.34 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.036 0.535 . . . . 0.0 110.265 176.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.32 -42.95 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -72.13 55.56 0.31 Allowed 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.944 -0.473 . . . . 0.0 110.721 170.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.28 -34.93 66.93 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.049 -1.032 . . . . 0.0 111.336 -170.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -48.43 -44.53 35.33 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.197 0.999 . . . . 0.0 110.918 173.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.65 81.35 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.108 0.563 . . . . 0.0 111.025 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.0 mt . . . . . 0 C--N 1.339 0.139 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.359 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.91 -35.62 98.29 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.129 2.553 . . . . 0.0 112.224 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.5 tp -78.79 -46.41 18.86 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.917 0.78 . . . . 0.0 109.308 175.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -49.61 -49.91 44.97 Favored 'General case' 0 C--N 1.339 0.14 0 C-N-CA 123.139 0.576 . . . . 0.0 110.761 -177.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -59.15 -39.23 81.81 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 111.399 0.148 . . . . 0.0 111.399 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.14 -53.07 27.84 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.901 -0.499 . . . . 0.0 110.766 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 36.7 pt -57.59 -43.93 84.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 176.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.07 -47.37 15.11 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 125.492 1.52 . . . . 0.0 112.462 170.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -60.69 3.17 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.85 0.86 . . . . 0.0 110.225 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -51.85 -46.46 64.4 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 123.476 0.71 . . . . 0.0 110.109 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.466 HD11 ' HB1' ' A' ' 81' ' ' ALA . 62.8 mt -59.48 -51.76 68.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 122.607 0.363 . . . . 0.0 110.381 -178.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.55 -54.63 34.76 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.0 mt -49.09 -42.44 14.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 123.166 0.586 . . . . 0.0 110.656 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -66.13 -66.33 0.56 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.659 0.742 . . . . 0.0 111.433 176.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -66.25 -24.22 66.55 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -166.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -52.48 -46.56 66.6 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.886 0.766 . . . . 0.0 109.794 169.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -80.51 -40.34 26.23 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 118.708 -0.663 . . . . 0.0 110.191 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.9 m -50.17 -41.74 49.79 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.989 0.813 . . . . 0.0 110.879 169.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.183 0 C-N-CA 124.226 0.917 . . . . 0.0 113.582 173.363 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.7 m170 . . . . . 0 CA--C 1.535 0.403 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 40.9 p -128.85 164.37 23.23 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.634 1.574 . . . . 0.0 108.923 -177.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 tt -149.85 119.94 7.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.2 p -77.91 167.38 21.59 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.634 0.652 . . . . 0.0 112.184 -169.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -58.07 -56.2 25.11 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -168.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -80.21 -24.52 40.17 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 121.251 -0.906 . . . . 0.0 110.827 -178.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -60.06 -44.23 94.85 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.458 0.703 . . . . 0.0 109.343 170.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.518 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.9 tm? -56.61 -50.18 72.74 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 171.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -53.87 -45.0 70.89 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.453 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -56.74 -48.83 76.93 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.049 0.54 . . . . 0.0 110.994 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 tt -49.14 -53.62 20.05 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 123.189 0.596 . . . . 0.0 109.492 174.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.7 mt -60.68 -53.78 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 O-C-N 121.741 -0.599 . . . . 0.0 110.327 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -49.62 -47.32 49.79 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 119.004 -0.522 . . . . 0.0 110.709 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -79.76 -50.69 10.2 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.5 -177.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -75.25 -42.99 53.9 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.235 0.47 . . . . 0.0 111.811 -169.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.533 0.315 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 174.073 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.1 t70 . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.28 -47.75 65.7 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.271 0.557 . . . . 0.0 110.942 174.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -63.18 -43.65 97.64 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 23.3 mm -56.32 -45.79 81.49 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.371 176.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.273 12.5 m -69.65 -35.18 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-N 120.505 1.502 . . . . 0.0 112.732 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -58.92 -51.84 68.33 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.601 1.092 . . . . 0.0 110.017 171.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.64 -45.13 73.71 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.442 1.097 . . . . 0.0 110.936 176.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -61.63 -44.74 96.41 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.786 0.835 . . . . 0.0 109.266 177.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -54.64 -50.38 68.28 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 175.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -56.82 -52.87 63.39 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.824 -0.548 . . . . 0.0 110.84 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.39 -58.85 5.4 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.621 0.769 . . . . 0.0 111.137 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.48 -30.87 64.92 Favored 'General case' 0 N--CA 1.457 -0.081 0 O-C-N 121.82 -0.55 . . . . 0.0 111.697 -172.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 121.081 0.467 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 t -109.77 126.82 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 N-CA-C 105.412 -2.07 . . . . 0.0 105.412 169.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -83.79 159.29 21.46 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.196 0.907 . . . . 0.0 108.93 168.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -51.27 -49.88 60.34 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -176.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -58.99 -46.82 87.21 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.49 -0.756 . . . . 0.0 110.176 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -59.33 -45.79 90.36 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 123.657 0.783 . . . . 0.0 109.909 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -53.96 -52.96 59.0 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.236 0.614 . . . . 0.0 110.492 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.5 mm -57.83 -52.9 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 118.102 0.41 . . . . 0.0 110.215 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 78.3 m -49.9 -49.99 47.64 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.777 0.431 . . . . 0.0 110.947 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -59.17 -44.53 92.16 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.986 0.514 . . . . 0.0 110.669 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 75.3 mt -59.46 -35.44 74.07 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.093 0.86 . . . . 0.0 110.977 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.8 -47.68 87.07 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 169.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.9 -46.01 78.49 Favored 'General case' 0 C--O 1.222 -0.345 0 O-C-N 121.952 -0.734 . . . . 0.0 110.288 174.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 7.5 tp -60.39 -42.8 96.65 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.179 0.991 . . . . 0.0 110.819 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.81 -48.63 69.67 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.83 -0.544 . . . . 0.0 109.982 171.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 31.0 ttp -65.16 -35.39 80.95 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 5.5 mm -58.74 -50.24 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 C-N-CA 123.79 0.836 . . . . 0.0 108.946 173.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -56.68 -43.09 80.1 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 177.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.5 t30 70.49 -61.54 0.46 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.192 1.797 . . . . 0.0 113.146 168.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -49.32 -44.49 44.37 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.387 1.075 . . . . 0.0 109.709 176.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.14 -43.06 6.78 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.736 1.214 . . . . 0.0 112.31 173.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.36 -34.96 79.55 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.613 0.365 . . . . 0.0 110.917 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -73.25 -44.61 59.1 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.238 0 CA-C-O 117.091 -1.949 . . . . 0.0 110.222 174.893 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 CA--C 1.536 0.436 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.06 -44.85 42.98 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.72 2.28 . . . . 0.0 112.499 -178.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.2 tp -74.67 -45.93 41.35 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -50.71 -48.79 58.67 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.512 0.725 . . . . 0.0 110.703 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -62.3 -38.92 91.24 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.295 0.498 . . . . 0.0 111.433 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.38 -53.47 35.61 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.569 -0.707 . . . . 0.0 111.327 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.0 pt -58.18 -42.17 82.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 175.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.2 -44.38 9.88 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 125.481 1.515 . . . . 0.0 112.219 169.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -61.46 2.57 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.017 0.908 . . . . 0.0 110.188 177.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -51.59 -46.92 63.68 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.666 0.786 . . . . 0.0 110.317 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.518 HD11 ' HB1' ' B' ' 81' ' ' ALA . 63.4 mt -61.14 -51.15 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.119 0.968 . . . . 0.0 109.683 -178.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.57 -55.47 29.67 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mt -49.12 -51.99 11.72 Favored 'Isoleucine or valine' 0 C--N 1.34 0.164 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -59.52 -67.07 0.41 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.346 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -27.58 68.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -168.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -56.86 -50.65 71.82 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 170.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -64.2 -44.88 90.6 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-O 118.827 -0.606 . . . . 0.0 110.665 175.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.8 m -48.81 -44.16 38.95 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 118.672 0.669 . . . . 0.0 111.185 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.198 0 C-N-CA 124.803 1.192 . . . . 0.0 113.941 176.222 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 120.702 0.287 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.9 p -144.38 156.54 44.27 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.074 1.349 . . . . 0.0 109.912 -172.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.0 mt -132.33 135.74 46.39 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 167.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -75.82 149.48 37.88 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 119.832 1.196 . . . . 0.0 108.952 172.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -50.64 -47.76 58.4 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.542 0.687 . . . . 0.0 112.847 -169.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 tmpt? -71.04 -29.41 65.31 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.387 -0.821 . . . . 0.0 111.235 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -66.47 -41.94 88.26 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.262 -0.899 . . . . 0.0 109.127 175.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.509 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.0 tm? -57.05 -49.35 76.11 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 169.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -52.95 -44.33 67.01 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 119.42 -0.912 . . . . 0.0 110.464 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.41 -49.39 74.67 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.59 0.632 . . . . 0.0 111.101 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 tt -50.26 -52.07 39.37 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 124.082 0.953 . . . . 0.0 109.712 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.8 mt -63.72 -47.44 91.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.278 0 CA-C-O 118.912 -0.566 . . . . 0.0 111.031 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -53.63 -43.76 68.98 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 119.134 0.879 . . . . 0.0 110.373 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -68.61 -51.04 46.7 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.98 0.355 . . . . 0.0 111.889 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -74.46 -63.2 1.29 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 122.166 0.984 . . . . 0.0 109.076 -174.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.6 mt . . . . . 0 C--N 1.326 -0.417 0 C-N-CA 124.625 1.17 . . . . 0.0 108.091 -173.523 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.3 t70 . . . . . 0 C--O 1.223 -0.332 0 CA-C-O 119.057 -0.496 . . . . 0.0 111.912 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.68 -50.36 55.11 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.498 0.59 . . . . 0.0 111.529 172.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -60.97 -46.86 89.04 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 33.9 mm -56.57 -41.74 74.12 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.041 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.2 m -75.04 -31.89 25.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 120.343 1.429 . . . . 0.0 112.555 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.29 -51.84 68.24 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.476 1.035 . . . . 0.0 109.235 169.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -54.76 -45.4 74.19 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.659 0.784 . . . . 0.0 110.911 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.5 ttp -57.25 -47.4 81.48 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 124.31 1.044 . . . . 0.0 109.135 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -56.72 -49.05 76.34 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.074 0.397 . . . . 0.0 109.991 175.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -60.06 -34.16 73.04 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.6 mt -71.83 -59.23 2.85 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.414 0.685 . . . . 0.0 110.382 172.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.19 -15.55 63.77 Favored 'General case' 0 C--O 1.227 -0.08 0 C-N-CA 124.557 1.143 . . . . 0.0 113.038 -172.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.2 ttp85 -34.16 -39.48 0.08 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.122 1.769 . . . . 0.0 111.059 168.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -30.44 -57.5 0.2 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.777 1.231 . . . . 0.0 113.985 168.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.2 ptpp? -152.71 32.97 0.49 Allowed 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 173.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.306 1.6 p30 61.63 -56.98 0.11 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 128.514 2.726 . . . . 0.0 114.679 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.1 -42.09 73.15 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 123.75 0.82 . . . . 0.0 109.551 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -127.69 155.36 44.08 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.154 0.982 . . . . 0.0 112.912 -173.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 t -92.72 151.93 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 C-N-CA 129.11 2.964 . . . . 0.0 104.911 166.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -112.56 148.91 33.53 Favored 'General case' 0 CA--C 1.523 -0.078 0 C-N-CA 123.458 0.703 . . . . 0.0 109.163 169.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -42.93 -58.38 2.43 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.89 1.276 . . . . 0.0 114.108 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 tm0? -59.88 -42.72 94.39 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 121.539 -0.726 . . . . 0.0 109.267 -174.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -68.83 -35.02 76.45 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.856 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -56.64 -51.5 68.46 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.273 0.629 . . . . 0.0 110.12 170.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.2 mm -57.83 -51.15 73.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 118.55 0.614 . . . . 0.0 109.985 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.8 m -50.15 -50.09 50.02 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.502 0.668 . . . . 0.0 110.699 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -62.95 -43.97 97.34 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 123.058 0.543 . . . . 0.0 110.621 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.1 mt -56.71 -36.27 69.49 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.136 0.88 . . . . 0.0 110.157 172.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.54 -51.12 59.73 Favored Glycine 0 CA--C 1.526 0.749 0 O-C-N 121.839 -0.538 . . . . 0.0 111.812 169.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.56 -45.09 77.32 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.919 -0.753 . . . . 0.0 111.082 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 tp -56.47 -48.79 76.38 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.704 1.202 . . . . 0.0 110.043 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.419 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -57.57 -44.84 85.61 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.701 0.8 . . . . 0.0 110.626 176.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 23.3 ttt -64.53 -40.29 95.34 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 122.201 -0.312 . . . . 0.0 111.38 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.7 mt -60.8 -41.85 90.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 123.82 0.848 . . . . 0.0 109.214 174.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -72.36 55.71 0.34 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.145 0.578 . . . . 0.0 110.082 169.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -55.97 -34.74 66.01 Favored 'General case' 0 N--CA 1.456 -0.133 0 O-C-N 121.406 -0.809 . . . . 0.0 112.106 -169.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -47.41 -45.32 25.31 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.928 0.891 . . . . 0.0 111.385 172.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.97 97.2 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 123.011 0.524 . . . . 0.0 110.729 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--O 1.226 -0.175 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.508 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.45 -0.447 0 CA-C-O 117.632 -1.175 . . . . 0.0 113.915 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -52.83 -54.53 4.95 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 123.446 2.764 . . . . 0.0 112.364 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 51.9 tp -66.08 -45.75 80.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.062 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -53.22 -50.73 64.12 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 122.381 0.272 . . . . 0.0 110.821 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -62.27 -38.92 91.14 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 122.171 -0.331 . . . . 0.0 110.77 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.69 -54.39 36.36 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.923 -0.486 . . . . 0.0 111.71 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 30.3 pt -57.93 -42.12 81.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 118.78 0.718 . . . . 0.0 109.095 176.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.92 -45.56 19.28 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 125.147 1.356 . . . . 0.0 112.522 169.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.55 -58.66 7.35 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.234 1.017 . . . . 0.0 109.708 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -52.68 -46.6 67.33 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.504 0.722 . . . . 0.0 110.109 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.419 HD11 ' HB1' ' A' ' 81' ' ' ALA . 62.2 mt -60.83 -51.1 77.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 122.806 0.443 . . . . 0.0 110.131 -178.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.46 -55.61 27.72 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -49.57 -43.57 18.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 C-N-CA 123.2 0.6 . . . . 0.0 110.286 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -64.47 -62.8 1.37 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.851 0.75 . . . . 0.0 111.22 176.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -64.9 -26.42 68.31 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.861 1.059 . . . . 0.0 113.861 -168.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -51.76 -45.6 63.78 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.379 0.536 . . . . 0.0 110.23 169.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -81.14 -43.83 18.8 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 118.943 -0.551 . . . . 0.0 110.849 -177.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.7 p -57.17 -33.22 67.23 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 119.408 -0.917 . . . . 0.0 110.816 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 C-N-CA 124.989 1.281 . . . . 0.0 111.594 168.833 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 . . . . . 0 CA--C 1.535 0.383 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 41.5 p -141.29 156.52 45.85 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.329 1.452 . . . . 0.0 109.396 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 90.5 mt -130.44 134.42 47.09 Favored 'General case' 0 C--O 1.225 -0.208 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 167.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.5 p -76.16 151.9 36.82 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.701 1.137 . . . . 0.0 108.07 173.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -54.72 -41.96 70.96 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -167.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -78.26 -26.79 47.36 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.177 -0.952 . . . . 0.0 111.406 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -65.18 -38.3 90.1 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.21 -0.931 . . . . 0.0 109.419 170.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.504 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.9 tm? -57.22 -48.61 78.37 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 170.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -53.51 -46.84 70.21 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.773 1.17 . . . . 0.0 111.261 174.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -50.81 -51.02 54.95 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.535 0.734 . . . . 0.0 110.253 176.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tt -52.9 -53.49 48.42 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 124.056 0.942 . . . . 0.0 109.715 175.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 56.6 mt -59.91 -55.37 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 O-C-N 122.211 -0.306 . . . . 0.0 110.356 -176.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -56.47 -38.41 71.66 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 119.049 -0.5 . . . . 0.0 111.275 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -80.07 -54.54 5.69 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.516 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -81.23 -47.33 13.53 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.586 0.754 . . . . 0.0 111.55 -169.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 N--CA 1.455 -0.193 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 177.39 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.4 t70 . . . . . 0 CA--C 1.531 0.222 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.64 -47.68 70.07 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.335 0.588 . . . . 0.0 111.43 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.45 -43.28 94.73 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 28.4 mm -55.46 -44.5 76.21 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 118.299 -0.857 . . . . 0.0 111.218 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.251 7.9 m -67.12 -39.25 82.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 120.352 1.433 . . . . 0.0 112.119 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -59.12 -49.58 77.32 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.516 -0.74 . . . . 0.0 110.212 173.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tt -56.99 -44.57 82.86 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.985 0.914 . . . . 0.0 111.036 176.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -58.69 -43.77 90.08 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.364 1.066 . . . . 0.0 109.928 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -59.06 -49.83 76.41 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.253 0.479 . . . . 0.0 109.846 173.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -59.08 -33.66 71.07 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.46 -58.14 4.03 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.383 0.673 . . . . 0.0 109.873 172.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -64.81 -22.03 66.9 Favored 'General case' 0 C--O 1.228 -0.044 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -172.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 . . . . . 0 C--N 1.341 0.212 0 C-N-CA 127.015 2.126 . . . . 0.0 111.179 169.002 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.1 152.04 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 127.732 2.413 . . . . 0.0 107.241 169.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -113.09 150.62 31.83 Favored 'General case' 0 CA--C 1.523 -0.066 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 169.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -43.38 -55.22 4.23 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -63.94 -41.86 97.49 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.325 -0.859 . . . . 0.0 109.824 -174.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -64.22 -38.32 90.64 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 122.316 -0.24 . . . . 0.0 111.179 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -55.06 -52.84 61.95 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.253 0.621 . . . . 0.0 109.83 172.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 15.7 mm -60.47 -48.62 87.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-N 118.686 0.676 . . . . 0.0 110.474 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 34.7 m -48.82 -51.93 26.82 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.957 0.903 . . . . 0.0 110.053 177.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -61.41 -47.15 87.11 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 123.529 0.732 . . . . 0.0 110.485 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 74.4 mt -54.78 -34.0 62.09 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 119.039 0.836 . . . . 0.0 110.852 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.17 -51.01 58.57 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 169.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.94 -49.12 79.03 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.039 -0.683 . . . . 0.0 110.789 176.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 tp -51.02 -50.42 58.56 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.58 1.152 . . . . 0.0 110.147 177.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.518 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -58.9 -47.36 85.27 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.708 0.803 . . . . 0.0 110.66 178.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 26.0 ttp -62.82 -37.97 88.89 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 122.102 -0.374 . . . . 0.0 111.251 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.22 -40.84 90.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.677 1.191 . . . . 0.0 109.777 174.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 15.6 m-30 -72.88 53.6 0.35 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.873 0.76 . . . . 0.0 109.671 169.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -59.79 -28.84 67.77 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -167.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -46.18 -41.77 13.14 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.627 0.771 . . . . 0.0 110.603 171.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.61 -35.95 79.35 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.628 0.371 . . . . 0.0 111.579 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 16.8 mt -73.1 -51.86 16.44 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 175.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -54.61 -46.16 73.8 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 122.335 -0.228 . . . . 0.0 111.58 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.225 0 CA-C-O 117.498 -1.724 . . . . 0.0 111.219 -174.797 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -59.25 -39.3 79.39 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.779 2.319 . . . . 0.0 112.811 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.9 tp -80.27 -45.41 17.97 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -50.07 -47.05 53.8 Favored 'General case' 0 C--O 1.226 -0.143 0 C-N-CA 123.779 0.832 . . . . 0.0 110.646 -177.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -61.9 -37.77 85.87 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.779 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.17 -52.93 23.05 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.739 -0.601 . . . . 0.0 110.67 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.7 pt -58.47 -41.46 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 119.74 -0.784 . . . . 0.0 109.101 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.48 -46.35 17.23 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.415 1.483 . . . . 0.0 112.044 170.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -59.58 4.8 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.205 1.002 . . . . 0.0 110.044 177.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -51.42 -49.27 61.97 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 123.293 0.637 . . . . 0.0 110.245 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.29 -47.36 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 123.365 0.666 . . . . 0.0 109.624 -176.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.05 -54.13 40.59 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 124.949 1.262 . . . . 0.0 110.318 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 mt -50.44 -56.62 3.67 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -51.37 -58.36 6.44 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.05 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -67.09 -30.56 70.63 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 118.88 -0.581 . . . . 0.0 112.435 -172.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -56.71 -46.86 81.0 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.693 0.679 . . . . 0.0 109.84 170.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -66.96 -45.51 77.52 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 118.317 -0.849 . . . . 0.0 111.379 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.5 m -49.31 -46.84 47.12 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 119.651 1.114 . . . . 0.0 111.056 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.283 0 C-N-CA 124.13 0.872 . . . . 0.0 114.053 177.094 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 . . . . . 0 CA--C 1.532 0.278 0 CA-C-O 122.011 0.91 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.8 m -156.23 155.81 33.02 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.261 1.424 . . . . 0.0 109.189 -169.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.2 mt -129.61 157.75 41.21 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 125.47 1.508 . . . . 0.0 107.355 167.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 m -97.14 176.62 5.87 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.282 0.633 . . . . 0.0 110.124 169.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.09 -65.8 0.59 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.032 1.333 . . . . 0.0 112.059 -171.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -36.81 83.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.392 -177.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -58.46 -45.74 87.99 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.8 0.44 . . . . 0.0 111.142 176.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.525 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.6 tm? -57.19 -49.35 76.25 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -57.98 -38.13 75.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 118.9 -1.12 . . . . 0.0 111.028 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -59.52 -49.69 76.82 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.993 0.917 . . . . 0.0 110.279 175.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 tt -46.31 -54.44 8.95 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.661 0.784 . . . . 0.0 109.922 170.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.9 mt -62.12 -50.32 80.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 O-C-N 121.735 -0.603 . . . . 0.0 111.73 -177.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -61.2 -37.25 82.32 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.558 -0.713 . . . . 0.0 111.113 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -79.72 -46.8 16.39 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.774 0.715 . . . . 0.0 111.466 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -80.78 -48.72 12.08 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.091 0.556 . . . . 0.0 112.051 -174.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.4 mt . . . . . 0 N--CA 1.462 0.125 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -178.459 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 119.58 -0.247 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.93 -46.77 74.97 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 122.681 0.392 . . . . 0.0 111.254 173.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.99 -45.44 92.41 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.9 mm -56.62 -42.97 77.69 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.244 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.774 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.6 m -65.81 -37.01 78.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 120.481 1.491 . . . . 0.0 111.97 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -62.81 -50.99 68.8 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.25 0.932 . . . . 0.0 110.019 173.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.08 -43.46 66.76 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.227 1.011 . . . . 0.0 111.004 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -63.77 -47.56 80.44 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.572 1.149 . . . . 0.0 109.392 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -51.73 -53.04 43.81 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -54.18 -53.15 57.31 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.904 0.481 . . . . 0.0 110.54 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mt -49.44 -55.86 11.7 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.058 0.943 . . . . 0.0 110.989 177.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.17 -32.9 61.39 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.781 -0.575 . . . . 0.0 112.113 -173.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.0 ttm-85 -59.13 -34.54 72.17 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 123.113 0.565 . . . . 0.0 111.403 -169.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -49.48 -37.66 27.11 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 174.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -119.69 51.6 1.16 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.203 1.001 . . . . 0.0 109.07 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.273 4.0 p30 59.3 -58.98 0.05 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 129.307 3.043 . . . . 0.0 116.419 169.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -133.98 -21.68 1.87 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.414 1.486 . . . . 0.0 112.042 -172.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -120.12 152.62 37.35 Favored 'General case' 0 C--O 1.225 -0.191 0 C-N-CA 123.845 0.858 . . . . 0.0 109.17 -172.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.0 t -96.11 106.41 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -78.39 152.91 32.01 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.745 -0.597 . . . . 0.0 109.581 176.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -46.69 -55.23 8.1 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -64.48 -39.39 93.71 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.432 -0.793 . . . . 0.0 109.682 -174.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -57.47 -48.84 78.11 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.999 0.519 . . . . 0.0 110.166 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -51.68 -52.56 47.19 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.948 0.499 . . . . 0.0 110.643 176.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.5 mm -57.23 -52.87 51.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 118.306 0.503 . . . . 0.0 110.207 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.6 m -50.04 -52.04 37.44 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.629 0.772 . . . . 0.0 110.469 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -62.68 -43.4 98.89 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 123.525 0.73 . . . . 0.0 110.805 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.7 mt -55.82 -33.09 64.13 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.196 0.907 . . . . 0.0 110.227 173.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.81 -49.36 78.65 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 121.889 -0.507 . . . . 0.0 111.978 169.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.51 -47.34 82.22 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 117.782 0.791 . . . . 0.0 110.96 175.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.0 tp -55.05 -47.76 74.36 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.79 1.236 . . . . 0.0 109.717 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.481 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -58.85 -45.88 89.05 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.473 0.709 . . . . 0.0 110.96 176.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 57.5 ttm -60.06 -43.59 95.32 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 118.385 0.539 . . . . 0.0 110.568 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 83.1 mt -56.19 -43.26 75.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -72.21 51.62 0.24 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.661 0.784 . . . . 0.0 111.844 169.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -45.98 -32.56 2.82 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 127.635 2.374 . . . . 0.0 112.366 172.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.2 mp0 -58.96 -42.26 89.49 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.515 0.726 . . . . 0.0 110.102 176.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.11 -41.92 85.39 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.538 0.735 . . . . 0.0 110.501 177.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--N 1.341 0.202 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 174.817 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.0 -40.87 82.29 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.87 2.38 . . . . 0.0 113.113 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 53.1 tp -79.73 -44.54 20.57 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -50.48 -47.27 57.15 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 123.668 0.787 . . . . 0.0 110.659 -177.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -60.99 -38.91 87.67 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.228 0.467 . . . . 0.0 111.522 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.56 -53.95 19.74 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.744 -0.598 . . . . 0.0 110.843 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 46.4 pt -58.3 -41.35 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 119.781 -0.767 . . . . 0.0 109.156 175.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.67 -44.42 17.06 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 125.95 1.738 . . . . 0.0 112.249 170.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -60.19 4.01 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 118.188 0.994 . . . . 0.0 109.909 178.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -53.38 -46.29 69.59 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 123.649 0.78 . . . . 0.0 110.632 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.481 HD11 ' HB1' ' A' ' 81' ' ' ALA . 54.4 mt -60.84 -51.54 72.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 123.895 0.878 . . . . 0.0 109.536 -177.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.62 -57.85 16.77 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mt -46.54 -50.42 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 123.49 0.716 . . . . 0.0 109.939 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -64.82 -66.59 0.52 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.317 0.58 . . . . 0.0 111.857 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -69.82 -25.57 63.83 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -167.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -45.34 91.97 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 170.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -63.13 -52.52 62.21 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 118.4 -0.81 . . . . 0.0 110.999 173.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -46.07 -47.81 17.1 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.792 0.724 . . . . 0.0 110.918 177.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.142 0 C-N-CA 125.885 1.707 . . . . 0.0 114.383 176.39 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 . . . . . 0 CA--C 1.54 0.56 0 CA-C-O 121.046 0.451 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 13.1 p -147.24 148.99 32.04 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 126.375 1.87 . . . . 0.0 110.019 -169.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 97.2 mt -129.09 151.04 50.21 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 166.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 27.2 p -89.23 160.39 16.96 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 169.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -62.54 -44.21 96.92 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.011 -1.055 . . . . 0.0 112.919 -169.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -74.71 -32.9 62.28 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 120.712 -1.242 . . . . 0.0 110.615 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -58.33 -40.63 82.61 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.438 -0.789 . . . . 0.0 110.149 170.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.467 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.8 tm? -57.16 -44.76 83.77 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.735 -0.603 . . . . 0.0 109.863 171.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -56.49 -46.99 80.21 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 120.414 -1.429 . . . . 0.0 110.879 172.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -54.69 -38.28 66.83 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.464 0.706 . . . . 0.0 111.22 177.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 tt -60.24 -57.87 10.93 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 123.788 0.835 . . . . 0.0 109.783 170.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 44.2 mt -56.08 -50.73 68.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 O-C-N 122.118 -0.364 . . . . 0.0 111.557 -174.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -59.23 -31.52 69.13 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.183 0.447 . . . . 0.0 111.814 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -80.95 -58.13 3.23 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.075 0.464 . . . . 0.0 111.223 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -80.54 -42.93 21.52 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.096 0.959 . . . . 0.0 112.476 -168.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.1 mt . . . . . 0 N--CA 1.462 0.132 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -179.79 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--O 1.225 -0.234 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.46 -49.25 55.7 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.277 0.56 . . . . 0.0 111.289 173.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.87 -42.31 97.56 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 33.4 mm -56.97 -45.41 83.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 118.456 -0.783 . . . . 0.0 110.927 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.6 m -71.69 -31.83 43.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 120.196 1.362 . . . . 0.0 112.457 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -60.23 -51.82 67.92 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.641 1.11 . . . . 0.0 109.558 169.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 tt -55.49 -44.19 76.3 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.419 0.688 . . . . 0.0 110.889 176.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 39.4 ttp -56.26 -50.56 70.97 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.109 0.964 . . . . 0.0 109.439 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -55.08 -47.75 74.47 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.935 0.494 . . . . 0.0 110.21 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -58.43 -45.31 88.73 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 122.157 -0.339 . . . . 0.0 111.08 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.38 -56.72 18.01 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.39 0.676 . . . . 0.0 110.765 174.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -70.9 -15.87 62.64 Favored 'General case' 0 C--N 1.334 -0.081 0 C-N-CA 124.029 0.931 . . . . 0.0 113.085 -171.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.342 0.255 0 C-N-CA 125.286 1.434 . . . . 0.0 110.277 168.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 CA--C 1.533 0.304 0 CA-C-O 121.449 0.642 . . . . 0.0 112.609 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 21.2 t -110.97 111.32 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 127.66 2.384 . . . . 0.0 105.697 169.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -82.61 148.07 28.2 Favored 'General case' 0 C--O 1.232 0.171 0 O-C-N 121.558 -0.714 . . . . 0.0 109.182 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -45.47 -52.54 10.08 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.252 1.021 . . . . 0.0 112.974 -176.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -50.34 -51.67 43.62 Favored 'General case' 0 N--CA 1.457 -0.109 0 O-C-N 122.339 -0.226 . . . . 0.0 110.55 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -72.98 -27.95 62.11 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 119.195 -0.431 . . . . 0.0 111.833 -175.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.66 -49.77 75.39 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 167.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 19.6 mm -60.53 -51.79 68.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 O-C-N 122.009 -0.432 . . . . 0.0 110.629 177.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 10.5 m -48.59 -50.42 32.52 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.684 0.794 . . . . 0.0 110.264 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -60.69 -45.7 93.18 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 118.879 -0.582 . . . . 0.0 110.359 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 75.5 mt -57.35 -35.91 70.52 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.627 1.103 . . . . 0.0 110.918 174.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.99 -49.81 68.78 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 169.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.14 87.32 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 122.041 -0.682 . . . . 0.0 111.63 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 tp -58.06 -49.11 78.03 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.813 1.245 . . . . 0.0 109.081 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.96 -53.63 53.16 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.048 0.539 . . . . 0.0 109.776 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 48.5 ttp -54.32 -44.01 71.68 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.679 0.392 . . . . 0.0 111.353 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.59 -43.56 96.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 124.26 1.024 . . . . 0.0 109.898 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -54.36 -43.32 71.23 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.1 t30 69.22 -61.05 0.44 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 126.304 1.842 . . . . 0.0 113.917 167.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -51.32 -38.4 52.78 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.242 1.017 . . . . 0.0 109.691 175.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.12 -44.12 52.07 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.902 0.881 . . . . 0.0 112.064 172.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.24 -43.38 57.26 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.479 0.712 . . . . 0.0 109.785 -177.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -57.74 -43.02 85.09 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 175.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.251 0 CA-C-O 117.386 -1.786 . . . . 0.0 111.221 -178.944 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.444 0 CA-C-O 117.746 -1.121 . . . . 0.0 111.381 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -40.0 -51.75 3.01 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 124.092 3.194 . . . . 0.0 114.557 170.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.0 tp -64.61 -48.69 73.97 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 121.119 -0.988 . . . . 0.0 110.353 177.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -53.95 -47.33 71.4 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.896 0.478 . . . . 0.0 110.369 -177.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -63.63 -40.69 97.54 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.071 0.396 . . . . 0.0 111.068 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.54 -56.1 25.48 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.915 0.779 . . . . 0.0 111.738 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.3 pt -57.08 -42.79 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.61 -42.65 14.52 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 125.569 1.557 . . . . 0.0 112.907 170.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.85 -60.15 4.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.179 0.989 . . . . 0.0 109.248 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -51.36 -49.07 62.2 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.742 0.817 . . . . 0.0 110.029 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.4 mt -58.96 -50.93 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.982 -177.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.38 -53.8 42.87 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.1 mt -48.72 -51.64 11.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 123.079 0.552 . . . . 0.0 109.694 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -59.62 -53.1 61.94 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.262 0.553 . . . . 0.0 111.818 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -75.12 -22.8 57.96 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -169.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -58.09 -56.83 16.98 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.286 0.948 . . . . 0.0 108.802 169.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -64.18 -38.93 92.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.598 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.2 m -58.95 -53.59 56.69 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 173.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.715 0 C-N-CA 125.403 1.478 . . . . 0.0 112.502 178.937 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.9 m170 . . . . . 0 CA--C 1.537 0.473 0 CA-C-O 120.833 0.349 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.3 t -159.07 121.71 3.6 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.537 1.135 . . . . 0.0 109.097 -174.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.6 mt -91.53 146.85 23.46 Favored 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 123.782 0.833 . . . . 0.0 108.857 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.9 t -79.82 146.7 32.11 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 166.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -53.75 -39.73 65.57 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -169.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -34.72 69.3 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.374 -0.829 . . . . 0.0 111.06 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -62.73 -45.7 91.5 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 174.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.562 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.2 tm? -53.48 -45.53 69.64 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.892 169.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -55.74 -44.6 77.71 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 119.963 -1.711 . . . . 0.0 111.347 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -61.99 -33.73 74.86 Favored 'General case' 0 CA--C 1.535 0.365 0 O-C-N 121.998 -0.439 . . . . 0.0 111.324 176.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.55 -59.21 5.76 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.431 0.693 . . . . 0.0 110.193 169.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.518 HD11 HD11 ' A' ' 34' ' ' LEU . 72.8 mt -53.07 -48.26 53.37 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 CA-C-N 118.473 0.579 . . . . 0.0 110.268 -174.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -53.5 -38.51 63.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 119.504 -0.284 . . . . 0.0 111.561 -175.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -75.91 -59.92 2.54 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -43.84 -52.84 6.47 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.914 2.086 . . . . 0.0 112.033 -175.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.4 mt . . . . . 0 CA--C 1.533 0.289 0 C-N-CA 124.018 0.927 . . . . 0.0 111.807 -178.333 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 . . . . . 0 CA--C 1.528 0.134 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.1 -46.63 68.78 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.493 0.717 . . . . 0.0 111.131 175.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -66.28 -43.44 86.36 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.8 mm -53.47 -50.93 46.26 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 CA-C-O 118.737 -0.649 . . . . 0.0 109.581 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.266 18.5 m -68.49 -32.61 56.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 119.244 0.929 . . . . 0.0 112.79 -176.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -61.2 -50.32 73.61 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.612 1.096 . . . . 0.0 109.853 169.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.418 ' CD2' HD13 ' A' ' 38' ' ' ILE . 2.1 tt -58.58 -38.19 77.39 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.398 0.679 . . . . 0.0 111.357 177.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.7 ttp -60.34 -52.73 64.02 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 125.269 1.428 . . . . 0.0 109.157 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -50.64 -52.64 37.7 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -53.73 -52.16 61.02 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.652 0.381 . . . . 0.0 111.676 176.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mt -51.68 -56.27 14.68 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.61 0.764 . . . . 0.0 110.629 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -73.75 -25.62 60.26 Favored 'General case' 0 C--O 1.228 -0.054 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -172.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.7 ttm-85 -47.4 -44.02 24.03 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 123.691 0.797 . . . . 0.0 110.381 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -50.75 -29.34 11.19 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.699 1.2 . . . . 0.0 113.185 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -136.56 50.14 2.05 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 169.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 p30 57.05 -25.3 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 128.886 2.875 . . . . 0.0 118.692 168.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -170.23 -37.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 120.256 1.389 . . . . 0.0 110.967 -169.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -95.1 163.87 13.11 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 169.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.2 t -113.93 97.26 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 126.299 1.839 . . . . 0.0 106.586 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -78.7 144.09 35.62 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.67 0.272 . . . . 0.0 110.442 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -47.37 -54.39 11.34 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -169.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -54.54 -41.15 69.42 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.469 -0.769 . . . . 0.0 110.401 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -71.5 -36.74 71.21 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.914 0.886 . . . . 0.0 109.855 -176.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -54.5 -53.1 58.83 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.096 0.407 . . . . 0.0 109.918 169.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.7 mm -58.63 -48.88 84.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 O-C-N 122.248 -0.282 . . . . 0.0 110.282 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.9 m -50.68 -51.57 48.1 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.363 0.665 . . . . 0.0 110.338 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -59.62 -44.31 93.51 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.39 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.8 mt -57.91 -34.37 69.75 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.936 0.789 . . . . 0.0 111.314 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.26 -50.68 62.68 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 169.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.78 -42.77 80.03 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 122.163 -0.61 . . . . 0.0 110.862 174.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.59 -43.84 96.91 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.761 0.824 . . . . 0.0 110.19 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.428 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -58.36 -47.5 83.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.35 0.66 . . . . 0.0 110.453 173.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -41.41 75.25 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.742 -0.599 . . . . 0.0 110.534 175.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.93 -39.63 82.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 124.629 1.171 . . . . 0.0 111.561 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -51.6 -48.64 63.16 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 169.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 71.82 -59.19 0.56 Allowed 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 125.941 1.696 . . . . 0.0 113.785 167.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -50.35 -41.6 51.8 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.303 1.041 . . . . 0.0 110.364 176.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.75 -42.03 45.4 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.73 1.212 . . . . 0.0 112.092 174.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--O 1.225 -0.229 0 C-N-CA 123.621 0.768 . . . . 0.0 109.966 178.053 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.535 0.387 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -60.22 -40.95 55.13 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.259 1.973 . . . . 0.0 112.879 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 tp -80.32 -46.0 16.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.482 176.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -49.18 -45.91 44.78 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.687 0.795 . . . . 0.0 110.656 -175.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -60.15 -40.21 89.08 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.565 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.31 -55.13 13.17 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.873 -0.517 . . . . 0.0 110.747 -177.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 pt -58.49 -41.5 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.537 176.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.84 -44.96 25.03 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 125.165 1.364 . . . . 0.0 111.892 170.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.08 -60.16 4.01 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 117.846 0.823 . . . . 0.0 110.405 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -52.45 -46.16 66.36 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.615 0.766 . . . . 0.0 110.221 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.428 HD11 ' HB1' ' A' ' 81' ' ' ALA . 59.4 mt -60.13 -51.88 67.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.183 0.593 . . . . 0.0 110.076 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.94 -54.03 39.92 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 mt -49.53 -52.35 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -59.92 -63.5 1.28 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.351 0.596 . . . . 0.0 111.782 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -67.94 -20.89 65.11 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 119.113 -0.47 . . . . 0.0 112.175 -168.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -58.32 -52.6 64.91 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.797 0.726 . . . . 0.0 109.21 168.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -68.28 -33.76 74.94 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 118.911 -0.566 . . . . 0.0 111.24 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m -56.12 -61.55 2.31 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.27 168.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.794 0 C-N-CA 125.421 1.486 . . . . 0.0 112.481 -178.589 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 . . . . . 0 CA--C 1.536 0.441 0 CA-C-O 122.383 1.087 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.0 p -153.77 150.19 28.23 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 127.568 2.347 . . . . 0.0 106.672 -169.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -149.88 150.21 31.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 118.25 0.477 . . . . 0.0 110.444 168.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 87.1 p -78.37 160.98 27.5 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.124 0.488 . . . . 0.0 110.932 -169.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -59.17 -44.95 92.15 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -172.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -70.8 -33.33 70.62 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 120.938 -1.101 . . . . 0.0 110.357 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -62.28 -38.47 89.49 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.648 0.658 . . . . 0.0 109.915 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.495 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.2 tm? -57.97 -50.98 71.53 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 170.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -54.78 -42.41 71.71 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 119.24 -0.984 . . . . 0.0 110.678 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -57.97 -48.86 78.71 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.156 0.583 . . . . 0.0 110.645 175.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -50.16 -51.83 40.4 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 123.645 0.778 . . . . 0.0 109.428 174.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.9 mt -62.9 -59.38 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.101 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -56.03 -36.27 67.79 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 119.038 -0.506 . . . . 0.0 112.112 -175.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.36 -53.84 6.26 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 118.649 0.659 . . . . 0.0 110.603 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -79.15 -53.07 7.35 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 122.025 -0.422 . . . . 0.0 110.159 -171.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mp . . . . . 0 CA--C 1.53 0.182 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 177.794 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 . . . . . 0 C--O 1.226 -0.171 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.03 -47.5 65.0 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.714 0.806 . . . . 0.0 111.207 175.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -66.45 -41.85 88.47 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 35.0 mm -57.37 -46.05 85.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 118.473 -0.775 . . . . 0.0 110.671 175.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.276 14.1 m -68.24 -36.43 75.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 120.21 1.368 . . . . 0.0 112.259 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -56.87 -52.78 63.78 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.139 0.881 . . . . 0.0 110.05 171.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 tt -54.49 -44.86 73.02 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.412 1.085 . . . . 0.0 111.197 176.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -61.89 -41.72 98.22 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.88 0.872 . . . . 0.0 109.711 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -59.57 -48.9 79.87 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 173.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -54.27 -50.42 67.28 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.392 0.277 . . . . 0.0 111.187 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mt -56.26 -58.02 9.75 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 122.982 0.513 . . . . 0.0 110.179 174.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -64.69 -24.8 67.69 Favored 'General case' 0 N--CA 1.461 0.12 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -172.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 . . . . . 0 CA--C 1.53 0.181 0 C-N-CA 124.122 0.969 . . . . 0.0 110.767 176.847 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 . . . . . 0 N--CA 1.457 -0.104 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 5.6 t -111.31 129.93 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 127.053 2.141 . . . . 0.0 106.576 174.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -90.18 148.54 22.89 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 169.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -40.97 -53.86 2.87 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.668 1.187 . . . . 0.0 114.122 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -63.33 -40.48 97.45 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 121.352 -0.843 . . . . 0.0 110.172 -172.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -70.14 -39.1 75.58 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -50.75 -51.23 52.19 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.569 0.622 . . . . 0.0 110.597 170.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 23.7 mm -58.22 -51.89 65.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 118.519 0.599 . . . . 0.0 110.307 176.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 44.3 m -48.16 -51.37 25.3 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.803 0.811 . . . . 0.0 110.428 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -63.11 -43.7 97.71 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 123.633 0.773 . . . . 0.0 110.361 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.0 mt -57.55 -34.81 69.55 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.945 1.248 . . . . 0.0 110.73 173.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.68 -50.5 64.87 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 169.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.09 -46.05 79.2 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 122.173 -0.604 . . . . 0.0 111.113 174.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.56 -48.34 74.91 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 125.265 1.426 . . . . 0.0 109.609 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.91 -53.84 50.28 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.244 0.618 . . . . 0.0 109.856 174.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 14.6 ttt -60.77 -34.12 73.99 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 122.057 -0.402 . . . . 0.0 112.022 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 62.5 mt -72.33 -42.74 65.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 125.492 1.517 . . . . 0.0 110.354 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -52.65 -47.8 66.85 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 170.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 71.46 -59.34 0.55 Allowed 'General case' 0 C--O 1.227 -0.086 0 C-N-CA 125.915 1.686 . . . . 0.0 113.79 167.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -48.67 -46.94 40.91 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.241 1.017 . . . . 0.0 109.597 176.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.23 -41.17 1.26 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.997 1.719 . . . . 0.0 113.145 173.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.87 -30.72 62.79 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.53 0.732 . . . . 0.0 110.693 -176.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -77.65 -44.57 27.71 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 174.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 116.85 -2.083 . . . . 0.0 111.186 177.412 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.447 -0.585 0 CA-C-O 117.858 -1.068 . . . . 0.0 113.742 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.07 -46.93 22.51 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 121.447 1.431 . . . . 0.0 112.897 -178.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.7 tp -80.49 -44.71 18.72 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 118.513 0.597 . . . . 0.0 109.491 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.68 -43.66 62.8 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.849 0.859 . . . . 0.0 110.961 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -38.35 86.41 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.137 0.881 . . . . 0.0 110.872 178.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.94 -52.86 12.95 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 117.745 0.248 . . . . 0.0 110.342 -173.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.7 pt -57.61 -43.26 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 173.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.27 -44.05 20.01 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 125.092 1.329 . . . . 0.0 112.462 170.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -60.89 3.11 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.094 0.958 . . . . 0.0 109.83 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -51.14 -46.81 62.08 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.415 0.686 . . . . 0.0 110.034 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.54 -54.32 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 C-N-CA 123.603 0.761 . . . . 0.0 110.118 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.53 -49.85 66.76 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.291 -1.124 . . . . 0.0 110.291 -178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 mt -51.96 -53.2 18.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 175.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -58.06 -63.61 1.2 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.455 0.645 . . . . 0.0 111.196 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.61 -24.32 65.46 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -167.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -42.97 82.22 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 118.561 -1.256 . . . . 0.0 110.039 171.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -70.09 -39.25 75.66 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.491 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.9 p -60.99 -56.75 17.46 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 118.584 -1.246 . . . . 0.0 108.141 169.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.767 0 C-N-CA 126.945 2.212 . . . . 0.0 113.431 172.033 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 . . . . . 0 CA--C 1.543 0.686 0 N-CA-C 111.329 0.122 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.7 p -151.27 132.5 14.49 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 125.06 1.344 . . . . 0.0 109.897 -170.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 mp -108.59 143.88 37.04 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 167.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.1 p -77.31 155.03 32.29 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -54.15 -40.01 67.04 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -171.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -79.94 -29.65 39.75 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.297 -0.877 . . . . 0.0 111.529 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -61.72 -41.93 98.27 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.181 -0.949 . . . . 0.0 108.95 170.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.495 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.5 tm? -55.04 -50.44 69.07 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.733 0.413 . . . . 0.0 110.015 171.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -51.02 -48.62 61.4 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.259 -0.9 . . . . 0.0 111.026 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -54.76 -47.24 74.13 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 122.369 0.267 . . . . 0.0 111.283 177.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 tt -52.24 -53.35 44.78 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 123.725 0.81 . . . . 0.0 109.848 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.9 mt -62.7 -49.83 82.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -177.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -38.9 69.8 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.512 -176.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -74.54 -59.48 2.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.917 0.781 . . . . 0.0 110.489 172.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -60.45 -54.92 39.8 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 123.042 0.537 . . . . 0.0 112.426 -169.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.4 mt . . . . . 0 CA--C 1.531 0.217 0 CA-C-N 118.092 0.405 . . . . 0.0 110.968 -177.69 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 . . . . . 0 C--O 1.225 -0.22 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.97 -45.16 74.94 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.204 0.602 . . . . 0.0 111.283 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.05 -47.8 78.76 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 176.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 mm -54.21 -43.76 62.0 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.622 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.284 9.2 m -68.01 -37.82 78.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 120.471 1.487 . . . . 0.0 112.563 -178.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.74 -51.54 69.34 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.053 0.842 . . . . 0.0 109.854 172.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -55.97 -42.99 77.11 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.108 0.963 . . . . 0.0 111.333 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -61.65 -43.28 99.15 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.306 1.443 . . . . 0.0 109.474 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.01 -48.65 80.81 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.361 0.528 . . . . 0.0 109.59 174.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -54.83 -50.52 68.42 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 122.208 -0.308 . . . . 0.0 111.323 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -57.37 -57.19 13.74 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.407 0.683 . . . . 0.0 110.777 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -67.42 -22.2 65.53 Favored 'General case' 0 N--CA 1.457 -0.083 0 CA-C-O 118.221 -0.895 . . . . 0.0 112.862 -172.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -38.99 -37.84 0.4 Allowed 'General case' 0 C--N 1.344 0.331 0 C-N-CA 125.371 1.468 . . . . 0.0 110.812 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -23.06 -62.04 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.478 1.911 . . . . 0.0 113.28 165.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -147.17 24.69 1.14 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.653 1.181 . . . . 0.0 111.614 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.313 0.1 OUTLIER 63.91 -53.32 0.24 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 128.411 2.684 . . . . 0.0 115.1 -179.063 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -78.9 -40.35 32.49 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 121.301 -0.875 . . . . 0.0 110.559 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.69 152.3 51.74 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.412 1.085 . . . . 0.0 111.846 -173.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.1 p -103.07 130.23 53.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 125.252 1.421 . . . . 0.0 108.295 169.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.83 152.98 21.43 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.799 0.44 . . . . 0.0 110.117 176.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -42.76 -52.73 4.87 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.375 1.47 . . . . 0.0 113.838 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -60.11 -41.36 92.4 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 121.33 -0.856 . . . . 0.0 111.038 -176.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -72.61 -37.84 67.97 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -53.51 -54.06 42.65 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.613 0.642 . . . . 0.0 110.379 171.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 18.5 mm -56.1 -53.11 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.7 m -52.7 -47.68 67.09 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.143 0.497 . . . . 0.0 111.17 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -63.6 -43.16 97.73 Favored 'General case' 0 N--CA 1.446 -0.64 0 O-C-N 121.304 -0.873 . . . . 0.0 110.662 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.5 mt -57.72 -36.52 72.12 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.432 -0.793 . . . . 0.0 110.155 171.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.51 -42.53 95.99 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 121.949 -0.469 . . . . 0.0 112.168 169.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.67 -48.18 80.43 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 120.984 -1.304 . . . . 0.0 109.947 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.0 tp -53.32 -49.4 67.13 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.704 1.202 . . . . 0.0 109.746 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.453 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -58.57 -47.18 85.12 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.14 0.976 . . . . 0.0 110.994 177.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 55.3 ttp -62.83 -40.32 97.05 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.406 0.282 . . . . 0.0 110.78 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.0 mt -58.0 -48.73 83.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 172.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -71.51 41.78 0.07 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.821 0.849 . . . . 0.0 112.288 171.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -44.93 -32.33 1.58 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 127.132 2.173 . . . . 0.0 112.793 177.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.1 mp0 -47.88 -41.1 23.5 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.989 0.916 . . . . 0.0 110.506 175.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.03 -37.14 83.82 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.371 0.668 . . . . 0.0 111.746 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 35.1 mt . . . . . 0 CA--C 1.53 0.176 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 172.365 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.448 -0.572 0 CA-C-O 117.786 -1.102 . . . . 0.0 113.623 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.35 -55.16 3.33 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 121.979 1.786 . . . . 0.0 111.956 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 42.3 tp -68.63 -44.41 74.26 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.173 -0.955 . . . . 0.0 110.28 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -52.62 -48.34 66.4 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 122.733 0.413 . . . . 0.0 111.089 -175.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -38.98 85.06 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.182 0.446 . . . . 0.0 110.616 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.06 -53.05 22.41 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 122.149 0.18 . . . . 0.0 111.039 -176.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 28.8 pt -57.21 -44.16 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 119.806 -0.758 . . . . 0.0 109.001 175.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.41 -45.38 22.28 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.903 1.24 . . . . 0.0 112.417 171.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.4 -60.22 4.13 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.177 0.991 . . . . 0.0 109.889 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mp -51.48 -47.57 63.13 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 123.256 0.623 . . . . 0.0 110.302 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.453 HD11 ' HB1' ' A' ' 81' ' ' ALA . 64.2 mt -60.44 -54.19 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 124.288 1.035 . . . . 0.0 110.05 -178.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.98 -50.06 63.57 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 124.701 1.143 . . . . 0.0 110.532 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -52.66 -58.04 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -53.21 -58.36 7.33 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.086 0.469 . . . . 0.0 111.229 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -26.42 60.69 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 119.851 -0.74 . . . . 0.0 112.218 -169.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -66.04 -42.14 89.97 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 118.865 -1.134 . . . . 0.0 109.277 173.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -63.09 -51.47 66.47 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.07 175.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 97.1 p -56.99 -44.56 82.86 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 120.046 1.294 . . . . 0.0 109.904 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.116 0 C-N-CA 126.582 2.039 . . . . 0.0 114.688 169.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 53.2 p -140.64 143.26 35.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.077 1.351 . . . . 0.0 108.984 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 71.0 mt -108.1 144.52 35.36 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 169.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.0 p -83.34 177.19 8.61 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.131 0.878 . . . . 0.0 110.557 170.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -64.92 -65.96 0.61 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.815 0.846 . . . . 0.0 111.772 -169.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.44 -29.5 70.56 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.727 -0.608 . . . . 0.0 110.436 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.19 -46.85 85.11 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.226 0.61 . . . . 0.0 111.002 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.56 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.6 tm? -55.07 -48.52 73.39 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 169.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -55.89 -41.61 74.74 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.499 -0.751 . . . . 0.0 110.972 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -56.11 -54.85 40.09 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.877 1.271 . . . . 0.0 110.067 173.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 tt -44.96 -55.45 5.49 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 124.276 1.03 . . . . 0.0 110.304 174.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.88 -51.91 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-O 119.336 -0.364 . . . . 0.0 110.428 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -37.61 81.6 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 118.413 0.551 . . . . 0.0 110.821 -174.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -55.12 6.26 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -74.21 -52.51 12.2 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.86 -0.525 . . . . 0.0 110.531 -171.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 22.4 mt . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 177.199 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.377 0.132 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.05 -46.46 53.12 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.522 0.729 . . . . 0.0 111.04 174.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -66.21 -42.25 89.02 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 44.0 mm -56.14 -49.72 74.45 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 CA-C-O 118.986 -0.53 . . . . 0.0 110.161 175.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 19.4 m -69.92 -32.71 52.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 119.492 1.042 . . . . 0.0 112.373 -177.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -60.49 -51.22 70.4 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.165 0.893 . . . . 0.0 109.803 170.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tt -54.49 -45.46 73.24 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.979 0.912 . . . . 0.0 110.889 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 56.6 ttp -57.6 -55.48 34.33 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.765 1.226 . . . . 0.0 109.066 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -48.68 -53.42 18.83 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.718 0.807 . . . . 0.0 109.9 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -55.57 -51.32 67.51 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.831 0.452 . . . . 0.0 110.981 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.408 HD21 ' CD2' ' B' ' 76' ' ' PHE . 9.8 mt -53.69 -54.17 41.63 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.864 0.466 . . . . 0.0 111.041 176.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -76.86 -30.91 56.47 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -169.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 . . . . . 0 N--CA 1.462 0.148 0 O-C-N 122.122 -0.361 . . . . 0.0 110.797 -176.276 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 4.1 t -79.51 109.28 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -78.05 144.83 36.27 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 119.009 0.822 . . . . 0.0 109.383 173.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -40.97 -51.89 3.18 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.737 1.215 . . . . 0.0 113.033 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -59.67 -46.07 90.15 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.6 0.714 . . . . 0.0 110.215 -175.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -69.01 -35.84 77.13 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.54 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -54.63 -53.01 60.3 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.804 0.442 . . . . 0.0 110.064 170.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 30.3 mm -57.49 -55.54 20.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 118.733 0.697 . . . . 0.0 110.219 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 53.5 m -48.73 -50.44 33.68 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.981 -0.449 . . . . 0.0 111.3 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.408 ' CD2' HD21 ' B' ' 60' ' ' LEU . 65.2 t80 -62.31 -42.72 99.61 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 123.066 0.546 . . . . 0.0 110.838 -179.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 79.8 mt -57.59 -36.97 72.44 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.517 1.053 . . . . 0.0 109.854 173.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.57 -50.18 64.71 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 168.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.13 -47.31 75.25 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.663 -0.904 . . . . 0.0 111.01 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.2 tp -56.03 -47.67 77.43 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.781 1.232 . . . . 0.0 109.976 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.02 -49.36 73.91 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.75 0.82 . . . . 0.0 110.647 174.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 14.8 tpt -57.72 -42.98 84.94 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.439 0.696 . . . . 0.0 111.59 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.71 -48.02 90.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 124.26 1.024 . . . . 0.0 109.557 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -54.38 -50.63 67.05 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 69.88 -52.73 0.63 Allowed 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 126.397 1.879 . . . . 0.0 114.791 168.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -49.25 -42.07 39.62 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 124.098 0.959 . . . . 0.0 109.6 169.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.48 -43.2 62.1 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.549 0.74 . . . . 0.0 111.676 172.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 17.4 mt -69.02 -57.05 5.97 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -59.07 -39.92 83.62 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.323 0.249 . . . . 0.0 111.634 -173.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 117.43 -1.761 . . . . 0.0 109.955 177.22 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 117.526 -1.226 . . . . 0.0 111.829 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -39.48 -51.83 2.65 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 124.26 3.307 . . . . 0.0 115.489 171.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -72.03 -48.52 43.93 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 118.79 -1.164 . . . . 0.0 109.85 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -52.36 -46.01 65.96 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.856 0.462 . . . . 0.0 111.101 -176.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -64.89 -37.69 88.49 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 122.05 -0.406 . . . . 0.0 111.115 178.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.16 -54.53 28.29 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.866 -0.521 . . . . 0.0 111.012 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.8 pt -57.02 -43.06 80.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.2 -47.02 10.7 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 125.326 1.441 . . . . 0.0 112.601 170.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.67 -59.86 4.4 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.13 0.965 . . . . 0.0 109.861 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -52.23 -47.15 65.85 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.363 0.665 . . . . 0.0 110.237 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.4 mt -62.75 -51.16 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 122.783 0.433 . . . . 0.0 110.115 -177.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.06 -52.31 50.02 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.9 mt -52.92 -54.18 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -53.15 -63.85 1.01 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.94 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -71.89 -22.14 61.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 118.824 -0.608 . . . . 0.0 112.523 -169.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -59.8 -55.72 30.74 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 169.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -63.07 -36.31 83.17 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 119.06 -0.495 . . . . 0.0 111.442 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.4 m -57.94 -59.12 5.74 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 119.271 0.941 . . . . 0.0 109.944 170.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 C-N-CA 125.687 1.613 . . . . 0.0 111.93 -177.704 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 . . . . . 0 CA--C 1.538 0.489 0 CA-C-O 120.77 0.319 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.6 p -143.63 158.17 43.87 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.37 1.068 . . . . 0.0 109.257 175.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.7 mt -123.25 130.9 53.37 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 124.429 1.092 . . . . 0.0 108.201 169.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.8 t -81.88 170.21 15.92 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.447 0.641 . . . . 0.0 110.611 169.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -58.11 9.28 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.211 1.404 . . . . 0.0 113.207 -169.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.6 -30.24 65.58 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.846 -0.534 . . . . 0.0 110.3 -176.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -63.16 -46.48 86.97 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.752 -0.592 . . . . 0.0 109.499 174.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.476 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.3 tm? -55.8 -48.75 74.85 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 172.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -53.31 -46.8 69.55 Favored 'General case' 0 C--O 1.224 -0.276 0 O-C-N 121.189 -0.944 . . . . 0.0 110.223 175.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.55 -46.09 80.87 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.807 0.731 . . . . 0.0 110.923 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 tt -51.36 -53.35 37.27 Favored 'General case' 0 CA--C 1.522 -0.111 0 C-N-CA 123.61 0.764 . . . . 0.0 109.711 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.2 mt -62.93 -52.31 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.42 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -52.64 -39.14 61.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.517 0.727 . . . . 0.0 111.098 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tpmt? -72.58 -60.47 2.22 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.791 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -68.79 -58.66 3.88 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.664 0.386 . . . . 0.0 110.757 -169.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 C--N 1.33 -0.268 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 177.637 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 CA--C 1.534 0.363 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.21 -45.24 79.96 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.925 0.393 . . . . 0.0 111.44 173.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -63.86 -45.49 89.25 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 174.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 mm -55.13 -42.81 67.27 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.297 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.9 m -65.9 -39.7 85.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 120.492 1.496 . . . . 0.0 112.497 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -59.51 -51.83 68.17 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.843 0.747 . . . . 0.0 109.693 173.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 tt -53.67 -43.87 69.2 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.974 0.91 . . . . 0.0 111.299 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -63.11 -42.89 99.64 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.452 1.101 . . . . 0.0 109.419 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.25 -48.09 81.51 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 172.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -59.72 -36.46 76.6 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 122.025 -0.422 . . . . 0.0 111.922 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mt -65.56 -62.43 1.52 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.536 0.734 . . . . 0.0 109.948 170.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -60.75 -24.21 65.54 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 123.812 0.845 . . . . 0.0 113.226 -172.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.4 ttp-105 -27.17 -50.71 0.05 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 127.439 2.295 . . . . 0.0 111.278 168.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -38.0 -53.53 1.36 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.566 1.546 . . . . 0.0 113.65 176.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? -149.41 49.07 0.96 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.274 0.63 . . . . 0.0 109.466 -174.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 p30 46.92 -78.49 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.618 2.367 . . . . 0.0 114.552 171.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -66.22 -31.79 72.82 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 125.567 1.547 . . . . 0.0 111.388 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -141.66 164.99 28.71 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -172.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.8 p -116.73 139.79 42.03 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 125.523 1.529 . . . . 0.0 107.493 168.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -92.86 153.54 18.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.043 0.937 . . . . 0.0 109.956 175.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -39.47 -53.51 2.04 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.885 1.674 . . . . 0.0 113.655 177.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -58.38 -46.57 86.1 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.511 -0.743 . . . . 0.0 110.228 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -72.36 -31.96 66.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.421 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -56.35 -50.61 71.02 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 168.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.9 mm -57.78 -54.45 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-N 118.578 0.626 . . . . 0.0 110.23 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.4 m -49.71 -49.07 49.24 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.578 0.627 . . . . 0.0 111.191 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -61.08 -45.41 94.84 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 122.564 0.346 . . . . 0.0 110.443 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.48 -34.72 71.2 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.77 0.714 . . . . 0.0 110.515 173.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.31 -51.69 57.08 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 169.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.31 -46.36 72.79 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.875 -0.779 . . . . 0.0 110.38 175.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 tp -60.69 -42.48 97.24 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.635 0.774 . . . . 0.0 110.659 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.478 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -59.44 -39.57 83.97 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 121.654 -0.653 . . . . 0.0 110.821 174.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -61.48 -50.33 73.16 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 122.068 -0.395 . . . . 0.0 109.978 170.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.9 mm -52.39 -41.59 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 124.154 0.981 . . . . 0.0 110.987 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.1 m-30 -51.1 -37.05 43.63 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.025 0.375 . . . . 0.0 111.022 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 35.5 t30 68.84 -64.58 0.32 Allowed 'General case' 0 C--N 1.34 0.174 0 C-N-CA 127.259 2.224 . . . . 0.0 112.442 172.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -49.29 -41.21 37.41 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.096 1.358 . . . . 0.0 110.387 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.71 -37.34 65.74 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.905 0.882 . . . . 0.0 112.266 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 C--N 1.339 0.111 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 175.903 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 118.34 -0.838 . . . . 0.0 113.157 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -59.42 -41.04 61.67 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 121.604 1.536 . . . . 0.0 114.47 -171.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 66.0 tp -81.02 -45.45 16.55 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.157 0.435 . . . . 0.0 110.276 171.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -52.46 -41.93 63.74 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 119.301 -0.38 . . . . 0.0 111.501 -175.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -58.11 -40.99 82.59 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.534 0.606 . . . . 0.0 110.888 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.94 -53.2 15.85 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 121.882 -0.511 . . . . 0.0 110.503 -174.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 35.5 pt -57.69 -42.26 81.22 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.109 173.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.58 -43.59 15.6 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 125.42 1.486 . . . . 0.0 112.44 170.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -59.52 5.21 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 118.159 0.979 . . . . 0.0 109.842 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -51.66 -47.14 63.89 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 123.125 0.57 . . . . 0.0 110.394 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.478 HD11 ' HB1' ' A' ' 81' ' ' ALA . 53.8 mt -61.68 -51.97 66.41 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.41 -53.23 39.52 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 9.0 mt -49.94 -60.86 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 175.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -51.43 -51.02 58.41 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.029 0.442 . . . . 0.0 111.65 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -72.44 -28.86 63.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.472 -170.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -62.51 -55.74 24.61 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 169.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -61.86 -44.63 96.43 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -174.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.9 p -67.85 -46.51 71.54 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.3 -0.875 . . . . 0.0 109.722 174.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.829 0 C-N-CA 124.34 0.971 . . . . 0.0 112.229 174.564 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 . . . . . 0 CA--C 1.538 0.497 0 CA-C-O 121.744 0.783 . . . . 0.0 109.906 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 15.9 p -144.52 136.98 26.53 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 126.978 2.111 . . . . 0.0 106.789 -169.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 65.5 mt -99.58 152.0 20.53 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 168.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 87.6 p -88.49 159.9 17.75 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 166.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -48.51 -48.05 38.52 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.297 1.039 . . . . 0.0 113.167 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -78.69 -31.57 46.66 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.698 -0.626 . . . . 0.0 110.909 -177.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -61.07 -42.15 97.96 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.429 -0.794 . . . . 0.0 109.583 171.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.552 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.7 tm? -56.85 -50.09 73.5 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 172.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -53.11 -44.92 68.01 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.236 0.926 . . . . 0.0 110.799 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -55.42 -50.69 69.14 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 117.883 0.31 . . . . 0.0 110.297 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tt -49.68 -53.77 22.57 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 124.075 0.95 . . . . 0.0 110.5 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 44.9 mt -61.78 -55.21 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 O-C-N 121.965 -0.459 . . . . 0.0 110.436 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -58.1 -39.9 79.82 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.62 0.646 . . . . 0.0 110.957 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -81.12 -37.57 28.66 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -174.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -81.27 -68.2 0.71 Allowed 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.777 0.798 . . . . 0.0 109.569 172.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.2 mt . . . . . 0 C--N 1.329 -0.318 0 C-N-CA 124.816 1.246 . . . . 0.0 108.774 -173.661 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 CA--C 1.533 0.306 0 CA-C-O 119.385 -0.34 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.69 -48.69 69.26 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.327 0.512 . . . . 0.0 111.47 169.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.32 -45.47 93.07 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 27.7 mm -55.92 -40.29 61.77 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.305 0 CA-C-O 117.972 -1.013 . . . . 0.0 111.31 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.254 8.5 m -68.04 -37.71 78.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 120.735 1.607 . . . . 0.0 112.41 177.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -59.81 -52.29 66.1 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.111 0.869 . . . . 0.0 109.546 173.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.19 -44.03 71.23 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.153 0.581 . . . . 0.0 111.048 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -62.83 -40.89 98.79 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.196 0.998 . . . . 0.0 109.547 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -58.29 -48.73 79.57 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 173.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -62.22 -32.44 73.1 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mt -66.54 -71.32 0.2 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 168.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . 0.268 5.1 p-10 -55.35 -25.62 36.05 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 125.173 1.389 . . . . 0.0 113.983 -169.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 51.7 ttp85 . . . . . 0 CA--C 1.533 0.315 0 C-N-CA 125.197 1.399 . . . . 0.0 111.217 169.035 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 3.6 t -118.27 108.64 24.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 125.172 1.389 . . . . 0.0 108.563 171.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -79.9 143.86 33.9 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.36 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -39.76 -60.4 1.0 Allowed 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -171.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -58.11 -35.66 71.77 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.278 -0.888 . . . . 0.0 111.28 -177.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -76.28 -36.07 58.58 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -55.74 -52.55 63.54 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 168.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 26.8 mm -55.61 -53.24 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 93.2 m -51.37 -48.8 62.39 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.88 0.472 . . . . 0.0 111.136 178.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -62.58 -41.92 99.24 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.988 -0.53 . . . . 0.0 110.51 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 71.2 mt -57.53 -34.23 68.92 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.68 1.127 . . . . 0.0 110.466 173.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.11 -52.08 54.57 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 168.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.35 -39.53 67.19 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.433 -1.039 . . . . 0.0 111.507 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 14.0 tp -65.58 -42.53 91.62 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.999 0.92 . . . . 0.0 110.015 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.38 -45.38 80.57 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.117 0.567 . . . . 0.0 110.169 170.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 33.9 ttp -64.08 -32.74 74.41 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.638 -0.664 . . . . 0.0 112.329 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 65.2 mt -71.25 -41.53 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 124.146 0.978 . . . . 0.0 110.625 174.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 5.6 m-30 -53.28 -46.17 69.19 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 169.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 72.58 -61.01 0.51 Allowed 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 126.511 1.925 . . . . 0.0 113.369 167.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -50.7 -43.3 57.71 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.654 0.782 . . . . 0.0 109.558 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.04 -45.75 16.22 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.939 0.896 . . . . 0.0 111.927 173.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 11.1 mt -66.82 -25.59 66.51 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-O 119.187 -0.435 . . . . 0.0 111.719 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -75.11 -53.84 8.16 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 174.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 117.314 -1.825 . . . . 0.0 110.179 173.193 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 CA--C 1.539 0.545 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -59.61 -43.01 42.07 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 121.852 1.701 . . . . 0.0 112.582 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -80.01 -44.49 20.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -50.22 -46.15 54.4 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.338 0.655 . . . . 0.0 110.591 -176.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -63.12 -34.45 77.64 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.872 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.59 -50.66 23.89 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.66 -0.65 . . . . 0.0 110.868 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.7 pt -59.02 -40.21 80.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 119.769 -0.773 . . . . 0.0 109.273 172.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.52 -45.96 37.4 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 125.017 1.294 . . . . 0.0 112.25 170.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -61.56 2.43 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.242 1.021 . . . . 0.0 109.63 178.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.47 ' CD2' HD13 ' A' ' 77' ' ' LEU . 7.4 mt -48.69 -48.85 39.79 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.417 1.087 . . . . 0.0 111.255 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mm -59.73 -55.45 23.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.399 1.08 . . . . 0.0 109.64 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.53 -47.57 87.31 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 125.111 1.339 . . . . 0.0 110.148 -176.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -55.1 -57.96 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 175.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 42.4 t80 -54.07 -54.1 44.06 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.001 0.429 . . . . 0.0 110.622 -173.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -69.6 -28.75 66.21 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.695 -0.669 . . . . 0.0 112.135 -173.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -57.09 -55.01 40.2 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.234 0.925 . . . . 0.0 108.703 169.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -63.18 -54.0 44.37 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-O 118.913 -0.565 . . . . 0.0 111.098 -178.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.2 m -49.83 -48.35 50.95 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.737 1.153 . . . . 0.0 111.241 174.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.828 0 C-N-CA 124.691 1.139 . . . . 0.0 111.802 177.683 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 . . . . . 0 CA--C 1.531 0.226 0 CA-C-O 121.213 0.53 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.1 m -146.79 154.52 41.46 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 4.6 tt -148.28 135.78 20.59 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -167.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.5 t -79.58 164.94 23.44 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.994 0.816 . . . . 0.0 112.613 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -71.98 -51.95 19.44 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -169.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -62.85 -36.5 83.45 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 120.64 -1.288 . . . . 0.0 109.525 177.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -62.51 -43.55 98.53 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 121.971 -0.455 . . . . 0.0 110.943 174.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.555 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.7 tm? -52.8 -46.93 67.87 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 171.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -55.5 -45.13 77.08 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 119.194 -1.003 . . . . 0.0 110.491 176.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.27 -49.58 73.81 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.506 0.594 . . . . 0.0 110.775 175.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 tt -48.0 -51.53 23.53 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 124.306 1.042 . . . . 0.0 109.602 174.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.6 mt -60.7 -57.77 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-O 119.405 -0.331 . . . . 0.0 110.218 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -54.73 -37.47 65.95 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.159 0.436 . . . . 0.0 112.003 -175.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -79.98 -56.01 4.55 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 117.968 0.349 . . . . 0.0 110.94 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -80.8 -48.46 12.43 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.654 0.382 . . . . 0.0 110.835 -170.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 176.021 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 C--O 1.227 -0.108 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.86 -46.67 71.35 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.489 0.716 . . . . 0.0 111.141 175.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -65.82 -43.02 89.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.3 mm -56.91 -43.22 80.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 CA-C-O 118.084 -0.96 . . . . 0.0 111.404 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 m -69.28 -33.36 57.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 120.583 1.538 . . . . 0.0 112.374 179.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -59.5 -52.01 67.42 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.156 0.889 . . . . 0.0 109.477 170.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.64 -42.33 74.84 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.894 0.878 . . . . 0.0 111.434 176.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.7 ttp -58.13 -51.66 68.78 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.745 1.218 . . . . 0.0 108.431 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -53.5 -50.05 66.22 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -54.04 -51.88 62.64 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.034 0.379 . . . . 0.0 111.595 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.8 mt -53.8 -58.43 7.27 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.354 0.662 . . . . 0.0 110.862 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -68.59 -30.91 69.76 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 118.908 -0.568 . . . . 0.0 112.381 -172.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -46.94 -45.39 20.7 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 123.636 0.774 . . . . 0.0 110.6 -175.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -30.47 43.78 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.56 0.744 . . . . 0.0 112.668 -176.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -132.85 42.56 3.06 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.011 0.924 . . . . 0.0 109.553 172.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 p30 38.05 -85.94 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 127.559 2.344 . . . . 0.0 115.369 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -69.87 -31.55 69.44 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.193 1.397 . . . . 0.0 111.53 -175.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -130.59 177.93 7.0 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.175 0.99 . . . . 0.0 109.578 -172.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.7 p -124.29 129.43 74.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 166.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -85.29 151.01 24.38 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -45.08 -51.61 9.99 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.561 0.745 . . . . 0.0 112.968 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -58.29 -46.46 86.06 Favored 'General case' 0 CA--C 1.53 0.205 0 O-C-N 121.83 -0.544 . . . . 0.0 110.008 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -67.19 -37.34 83.51 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.241 0.616 . . . . 0.0 110.296 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -54.78 -53.65 52.36 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.496 0.718 . . . . 0.0 110.196 170.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.438 HG21 ' CA ' ' B' ' 78' ' ' GLY . 17.2 mm -59.63 -48.21 88.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 118.712 0.687 . . . . 0.0 110.397 178.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.0 m -50.58 -51.72 45.71 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.52 0.676 . . . . 0.0 109.913 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -60.94 -45.47 94.59 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.61 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 12' ' ' LEU . 74.2 mt -57.34 -37.95 73.35 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.274 0.943 . . . . 0.0 110.658 175.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.73 -52.18 50.16 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 169.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.31 -42.9 78.33 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.253 -0.557 . . . . 0.0 111.449 175.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.3 tp -57.91 -49.38 76.95 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.835 1.254 . . . . 0.0 109.672 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.57 -48.8 76.57 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.202 0.601 . . . . 0.0 110.133 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 41.3 ttp -61.1 -38.57 86.76 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 122.771 0.428 . . . . 0.0 111.686 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.0 mt -68.64 -44.12 82.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 124.972 1.309 . . . . 0.0 109.883 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -52.73 -48.97 66.32 Favored 'General case' 0 C--N 1.34 0.167 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 171.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 71.51 -58.67 0.57 Allowed 'General case' 0 N--CA 1.461 0.091 0 C-N-CA 126.185 1.794 . . . . 0.0 113.651 167.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -45.91 -49.05 16.06 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.553 1.141 . . . . 0.0 109.175 172.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -39.42 -43.88 1.28 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.777 1.631 . . . . 0.0 112.819 173.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 42.1 mt . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.887 0.375 . . . . 0.0 110.385 -179.325 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -63.1 -34.52 69.23 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 CA-C-N 120.896 1.356 . . . . 0.0 113.426 -169.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 44.9 tp -82.26 -46.05 14.2 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.766 0.712 . . . . 0.0 110.751 169.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -50.43 -43.2 54.91 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.05 0.54 . . . . 0.0 111.106 -175.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -56.04 -42.44 76.55 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.186 0.448 . . . . 0.0 111.474 176.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.24 -53.44 16.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.785 -0.572 . . . . 0.0 110.514 -174.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 20.5 pt -58.53 -40.69 79.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 119.774 -0.77 . . . . 0.0 108.984 174.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.82 -43.17 29.99 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 125.389 1.471 . . . . 0.0 112.271 170.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.98 -59.05 6.05 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.456 1.128 . . . . 0.0 109.655 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -51.19 -47.72 62.14 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 123.163 0.585 . . . . 0.0 110.431 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.41 -47.57 92.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.469 0.708 . . . . 0.0 109.941 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.27 -52.79 50.51 Favored Glycine 0 CA--C 1.521 0.427 0 C-N-CA 124.75 1.167 . . . . 0.0 110.232 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.3 mt -51.35 -60.74 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 107.715 -1.216 . . . . 0.0 107.715 174.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -48.14 -59.28 3.52 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.713 -175.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -74.92 -21.98 58.88 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 119.332 -0.366 . . . . 0.0 111.633 -170.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -60.97 -51.48 69.08 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 168.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -61.14 -46.99 88.28 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.83 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.3 p -61.65 -51.28 69.09 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.204 0.911 . . . . 0.0 110.118 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.853 0 C-N-CA 125.609 1.576 . . . . 0.0 112.536 176.727 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 22.6 m170 . . . . . 0 CA--C 1.541 0.607 0 CA-C-O 121.015 0.436 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 14.3 t -155.79 161.62 40.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.949 1.3 . . . . 0.0 108.096 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 62.8 mt -127.51 158.77 36.54 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.768 1.627 . . . . 0.0 108.116 172.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 60.5 p -100.04 172.54 7.14 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.653 1.181 . . . . 0.0 110.247 171.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -58.44 -57.37 13.24 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -169.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -78.93 -24.62 43.9 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.814 -0.554 . . . . 0.0 110.429 -174.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -62.83 -46.83 86.1 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 169.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.531 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.9 tm? -59.95 -47.99 83.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 172.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -50.26 -47.72 55.06 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.48 -0.763 . . . . 0.0 109.761 175.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -56.4 -50.56 71.27 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.635 0.774 . . . . 0.0 111.085 176.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tt -46.37 -55.28 7.56 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 123.119 0.567 . . . . 0.0 110.114 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 69.6 mt -58.63 -55.64 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-O 119.037 -0.506 . . . . 0.0 110.414 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -62.01 -34.6 76.5 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 119.411 1.005 . . . . 0.0 112.028 -174.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -79.72 -39.52 30.97 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.648 0.658 . . . . 0.0 111.288 -176.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -80.33 -58.2 3.24 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.334 0.516 . . . . 0.0 110.647 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 CA--C 1.534 0.358 0 C-N-CA 126.863 2.065 . . . . 0.0 108.4 -176.514 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 N--CA 1.463 0.217 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.08 -44.89 67.89 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.491 0.662 . . . . 0.0 110.73 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -68.97 -40.01 79.11 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 36.3 mm -56.99 -49.33 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-O 118.43 -0.795 . . . . 0.0 110.866 174.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.4 m -65.03 -37.76 81.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 120.199 1.363 . . . . 0.0 111.506 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -58.04 -49.73 75.86 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.885 0.766 . . . . 0.0 110.284 171.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tt -57.27 -42.86 82.4 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.496 -0.753 . . . . 0.0 111.187 177.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -59.86 -45.99 90.71 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.168 0.987 . . . . 0.0 109.489 176.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -55.48 -52.02 65.05 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -60.12 -28.49 67.91 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.295 -0.878 . . . . 0.0 112.74 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mt -68.83 -58.83 3.62 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.637 0.775 . . . . 0.0 110.524 171.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 40.2 p30 -71.45 -26.18 62.62 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -172.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 . . . . . 0 N--CA 1.461 0.109 0 C-N-CA 126.937 2.095 . . . . 0.0 111.388 175.371 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 32.7 t -114.73 111.73 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 104.678 -2.342 . . . . 0.0 104.678 168.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -80.5 149.58 29.98 Favored 'General case' 0 C--N 1.332 -0.156 0 O-C-N 121.223 -0.923 . . . . 0.0 109.56 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -41.56 -55.79 2.77 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -59.48 -43.73 93.22 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 121.621 -0.674 . . . . 0.0 109.758 -175.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -68.39 -37.12 80.08 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.14 0.576 . . . . 0.0 110.182 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -55.11 -53.88 50.21 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.131 0.573 . . . . 0.0 110.148 170.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 23.3 mm -58.14 -51.39 71.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 118.602 0.637 . . . . 0.0 110.081 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 64.5 m -51.4 -51.37 55.34 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.553 0.741 . . . . 0.0 110.28 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -61.15 -45.03 96.3 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.408 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 38.8 mt -56.93 -35.08 68.64 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.096 0.862 . . . . 0.0 110.733 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . 0.438 ' CA ' HG21 ' A' ' 74' ' ' ILE . . . -56.53 -53.66 41.86 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 169.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.02 -44.26 70.79 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 117.104 0.452 . . . . 0.0 111.417 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 tp -58.57 -48.55 80.55 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.176 0.99 . . . . 0.0 109.98 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.58 -37.39 75.68 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.975 0.91 . . . . 0.0 110.335 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 13.2 ttt -71.04 -41.22 71.1 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.462 0.705 . . . . 0.0 111.81 175.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.29 -37.9 65.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -71.97 61.86 0.43 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.164 0.507 . . . . 0.0 110.787 169.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -46.77 -39.17 11.25 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 125.457 1.503 . . . . 0.0 112.711 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -50.24 -43.32 52.95 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.076 0.55 . . . . 0.0 111.355 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.55 80.55 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.908 0.483 . . . . 0.0 110.073 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 62.6 mt -54.41 -47.52 72.66 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.193 0.521 . . . . 0.0 110.312 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -64.96 -47.3 78.11 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.733 1.213 . . . . 0.0 110.426 -175.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.315 0 CA-C-O 117.437 -1.757 . . . . 0.0 111.225 -175.303 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.87 -45.87 29.92 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.115 2.543 . . . . 0.0 111.886 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.3 tp -72.1 -46.41 56.83 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.127 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -51.47 -50.98 58.77 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 122.895 0.478 . . . . 0.0 110.587 -176.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -62.82 -36.96 84.89 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.35 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.6 -53.33 43.16 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 118.533 0.606 . . . . 0.0 111.502 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.8 pt -57.37 -44.08 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.53 -44.18 16.07 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 125.366 1.46 . . . . 0.0 112.657 170.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.18 -60.22 4.21 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.208 1.004 . . . . 0.0 109.754 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -52.05 -46.55 65.15 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.284 0.634 . . . . 0.0 110.17 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.46 HD11 ' HB1' ' B' ' 81' ' ' ALA . 65.2 mt -61.55 -50.07 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 123.1 0.56 . . . . 0.0 109.891 -178.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.31 -53.88 42.17 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mt -50.22 -52.8 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -55.1 -60.56 3.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.949 0.404 . . . . 0.0 111.322 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -66.85 -26.55 66.96 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 118.681 -0.676 . . . . 0.0 112.549 -169.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -55.56 -55.7 28.88 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.082 0.855 . . . . 0.0 109.224 169.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -67.93 -39.14 83.56 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 119.144 -0.455 . . . . 0.0 111.56 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -57.28 -52.93 63.37 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.262 0.937 . . . . 0.0 109.971 172.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.697 0 C-N-CA 124.571 1.082 . . . . 0.0 111.395 177.646 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.0 m170 . . . . . 0 CA--C 1.537 0.451 0 CA-C-O 121.148 0.499 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.0 m -154.13 152.84 30.88 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.328 1.451 . . . . 0.0 108.037 -173.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.2 mt -127.67 138.08 52.7 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 124.908 1.283 . . . . 0.0 107.862 170.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.8 t -79.4 150.3 31.38 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.534 0.606 . . . . 0.0 109.712 169.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -50.96 -47.94 61.16 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.747 1.219 . . . . 0.0 113.058 -169.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -70.92 -32.4 69.32 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.753 -0.592 . . . . 0.0 110.859 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.97 -41.88 86.1 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.558 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.8 tm? -55.68 -48.64 74.73 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 170.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -56.01 -43.76 78.03 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.047 -1.033 . . . . 0.0 110.323 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -56.2 -49.24 74.63 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.788 0.435 . . . . 0.0 110.904 175.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tt -49.43 -52.69 27.16 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.042 0.937 . . . . 0.0 109.59 174.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 50.2 mt -61.92 -55.77 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.371 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -54.16 -41.59 68.66 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 119.465 -0.302 . . . . 0.0 111.38 -176.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.0 -54.41 6.06 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 118.117 0.417 . . . . 0.0 110.646 -177.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -77.16 -52.45 9.24 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -171.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 N--CA 1.451 -0.412 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 -179.565 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 . . . . . 0 CA--C 1.53 0.2 0 CA-C-O 119.369 -0.348 . . . . 0.0 111.631 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.28 -49.44 69.59 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.353 0.597 . . . . 0.0 110.735 171.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.57 -42.32 99.47 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 176.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.43 -43.52 77.92 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 CA-C-O 117.881 -1.057 . . . . 0.0 111.387 175.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.264 10.5 m -71.3 -32.72 47.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 120.902 1.683 . . . . 0.0 112.716 178.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -59.03 -51.52 69.72 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.6 1.091 . . . . 0.0 109.487 169.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tt -54.63 -42.08 70.81 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.339 1.056 . . . . 0.0 111.196 175.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 55.9 ttp -59.87 -48.17 82.77 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.081 0.952 . . . . 0.0 108.531 177.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -55.38 -48.89 73.62 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 175.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -55.06 -50.61 68.7 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.881 0.309 . . . . 0.0 111.654 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.2 mt -56.93 -58.66 7.18 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.101 0.56 . . . . 0.0 110.332 175.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.38 -19.0 63.83 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.96 0.904 . . . . 0.0 113.39 -171.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -42.0 -38.89 1.74 Allowed 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.651 1.18 . . . . 0.0 110.674 174.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -25.99 -55.76 0.07 Allowed 'General case' 0 C--N 1.341 0.201 0 C-N-CA 126.744 2.018 . . . . 0.0 113.173 167.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -161.91 64.06 0.24 Allowed 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 34.64 -64.66 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 130.452 3.501 . . . . 0.0 117.163 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -75.81 -25.14 56.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 124.924 1.29 . . . . 0.0 111.015 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -142.96 156.1 44.81 Favored 'General case' 0 C--N 1.343 0.306 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -170.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.6 p -113.16 130.01 67.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 126.557 1.943 . . . . 0.0 109.166 169.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.53 155.96 23.06 Favored 'General case' 0 C--N 1.34 0.186 0 CA-C-N 118.29 0.496 . . . . 0.0 110.21 176.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -45.2 -55.23 6.01 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -177.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -65.47 -38.71 90.58 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 118.984 -1.087 . . . . 0.0 110.389 -174.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.65 -34.26 76.58 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.839 -0.538 . . . . 0.0 110.952 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -55.88 -51.57 67.09 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.332 0.515 . . . . 0.0 110.045 168.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.8 mm -57.91 -50.44 77.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-N 118.609 0.641 . . . . 0.0 110.436 177.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.4 m -51.8 -47.49 64.24 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.324 1.05 . . . . 0.0 110.561 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -64.28 -44.44 91.7 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.154 178.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.6 mt -55.99 -33.14 64.56 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.335 0.97 . . . . 0.0 110.675 173.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.11 -49.56 71.05 Favored Glycine 0 CA--C 1.533 1.195 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 168.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.23 -44.13 83.51 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 121.624 -0.927 . . . . 0.0 110.939 173.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 tp -58.92 -44.71 91.37 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.584 0.754 . . . . 0.0 110.119 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.432 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -57.62 -47.78 81.25 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.481 0.712 . . . . 0.0 110.551 172.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.9 ttt -58.79 -37.9 77.37 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 122.017 -0.427 . . . . 0.0 111.576 177.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.6 mt -70.96 -42.25 77.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 125.01 1.324 . . . . 0.0 110.697 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -51.49 -50.31 60.14 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 170.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 72.06 -59.06 0.57 Allowed 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 126.245 1.818 . . . . 0.0 113.445 168.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -51.54 -41.33 61.0 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.792 0.837 . . . . 0.0 109.884 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.46 -41.2 6.11 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.642 1.177 . . . . 0.0 112.423 173.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 51.1 mt . . . . . 0 CA--C 1.53 0.21 0 C-N-CA 123.441 0.696 . . . . 0.0 110.349 179.548 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.46 -37.24 97.92 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 122.941 2.427 . . . . 0.0 112.773 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 53.8 tp -80.18 -46.8 15.73 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -49.55 -47.1 49.35 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 123.033 0.533 . . . . 0.0 110.82 -176.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -60.75 -37.89 83.32 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.29 -52.05 25.75 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 121.585 -0.697 . . . . 0.0 110.677 -177.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.6 pt -58.33 -42.78 84.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 119.61 -0.836 . . . . 0.0 108.984 174.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.92 -43.81 17.39 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 125.447 1.499 . . . . 0.0 112.138 170.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -59.33 5.59 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.167 0.983 . . . . 0.0 110.18 178.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -52.07 -46.31 65.09 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.152 0.581 . . . . 0.0 110.21 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.432 HD11 ' HB1' ' A' ' 81' ' ' ALA . 63.1 mt -62.1 -50.84 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.104 0.562 . . . . 0.0 109.769 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.8 -53.52 38.98 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 9.9 mt -50.7 -56.24 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 175.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -49.31 -54.98 14.37 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 117.958 0.345 . . . . 0.0 110.58 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -73.33 -16.71 61.36 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -173.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -61.76 -50.66 71.48 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 120.53 1.514 . . . . 0.0 108.552 168.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -71.87 -56.37 5.84 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.739 0.816 . . . . 0.0 109.282 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 55.8 m -74.61 60.6 0.91 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.57 1.148 . . . . 0.0 109.154 167.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.529 0 N-CA-C 104.782 -3.327 . . . . 0.0 104.782 179.6 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 41.8 m80 . . . . . 0 CA--C 1.534 0.341 0 CA-C-O 121.181 0.515 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 77.5 p -134.74 148.2 50.21 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 126.323 1.849 . . . . 0.0 107.238 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 tt -129.56 125.8 37.06 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 107.329 -1.359 . . . . 0.0 107.329 -176.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 92.3 p -78.96 160.72 27.1 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -169.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.66 -51.6 62.65 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.157 0.983 . . . . 0.0 112.181 -173.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -71.72 -42.43 67.32 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.064 -1.023 . . . . 0.0 110.357 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -57.68 -37.46 73.47 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.845 -0.535 . . . . 0.0 110.098 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.481 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.5 tm? -58.16 -50.01 75.02 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 121.821 -0.549 . . . . 0.0 109.627 173.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -54.11 -42.13 69.09 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.479 176.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -57.82 -50.45 73.23 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.217 0.207 . . . . 0.0 110.765 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 tt -50.07 -54.14 22.4 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.034 0.933 . . . . 0.0 109.423 176.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 50.4 mt -59.76 -59.37 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 118.939 -0.553 . . . . 0.0 110.149 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -52.46 -39.85 61.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 119.147 0.885 . . . . 0.0 111.071 -178.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -72.97 -53.16 11.93 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -81.51 -64.83 1.1 Allowed 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 122.163 0.982 . . . . 0.0 109.648 177.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 98.2 mt . . . . . 0 C--N 1.325 -0.475 0 C-N-CA 123.581 0.752 . . . . 0.0 109.308 -174.059 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.58 -46.07 63.34 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 123.749 0.656 . . . . 0.0 110.662 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.7 mp0 -66.23 -45.5 80.45 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 9.1 mm -57.72 -45.47 86.82 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.524 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 19.0 m -72.12 -33.03 45.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 120.337 1.426 . . . . 0.0 112.416 -177.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -59.33 -55.36 35.8 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.272 0.942 . . . . 0.0 109.493 169.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 tt -54.17 -45.1 72.0 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.229 0.612 . . . . 0.0 111.074 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 35.8 ttp -57.95 -49.74 75.76 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.881 1.272 . . . . 0.0 108.737 178.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -54.0 -48.2 70.66 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.339 0.518 . . . . 0.0 109.673 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.11 -38.12 85.2 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -177.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.5 mt -65.48 -66.78 0.5 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.069 0.461 . . . . 0.0 110.278 170.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -61.51 -28.02 69.01 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -169.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 9.3 ptm85 . . . . . 0 C--N 1.341 0.223 0 CA-C-N 119.671 1.123 . . . . 0.0 110.757 -171.869 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.59 133.39 43.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 168.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -80.7 153.06 28.09 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-N 118.628 0.649 . . . . 0.0 110.292 174.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -39.87 -55.14 2.05 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.581 1.152 . . . . 0.0 113.583 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -65.6 -38.1 88.52 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 119.162 -1.015 . . . . 0.0 111.123 -175.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -70.79 -32.4 69.49 Favored 'General case' 0 C--O 1.228 -0.061 0 CA-C-N 119.042 0.837 . . . . 0.0 111.101 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -55.09 -52.33 63.56 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 168.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.0 mm -56.21 -51.34 64.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 O-C-N 122.168 -0.333 . . . . 0.0 110.521 176.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 45.9 m -53.72 -44.95 70.3 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.385 1.074 . . . . 0.0 111.114 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -68.72 -43.69 75.44 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 123.185 0.594 . . . . 0.0 110.128 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 83.3 mt -55.93 -35.94 67.19 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.976 0.807 . . . . 0.0 109.866 170.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.24 -50.28 63.07 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 168.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.67 -48.62 74.74 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 118.347 1.073 . . . . 0.0 111.194 175.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 tp -55.9 -48.64 75.26 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.423 1.089 . . . . 0.0 109.599 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.46 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -58.31 -45.1 88.64 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.667 0.787 . . . . 0.0 110.527 175.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 30.4 ttp -62.03 -42.18 98.89 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.733 0.413 . . . . 0.0 110.762 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.12 -40.63 83.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 123.61 0.764 . . . . 0.0 109.256 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -71.49 55.94 0.24 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.843 0.857 . . . . 0.0 111.939 171.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -40.06 -43.16 1.54 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 127.334 2.254 . . . . 0.0 111.871 169.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -53.15 -49.25 66.99 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.589 0.755 . . . . 0.0 110.63 174.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.14 -38.16 90.07 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.091 -0.381 . . . . 0.0 110.198 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 30.4 mt -57.56 -45.0 85.68 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.07 0.395 . . . . 0.0 110.968 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -43.81 97.83 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 174.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.202 0 CA-C-O 118.038 -1.423 . . . . 0.0 112.995 177.845 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.449 -0.485 0 CA-C-O 117.748 -1.12 . . . . 0.0 113.717 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -51.9 -53.91 6.19 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.487 2.792 . . . . 0.0 112.685 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.7 tp -66.05 -45.48 81.23 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.453 -0.779 . . . . 0.0 109.988 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -53.55 -50.28 65.86 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 122.301 0.24 . . . . 0.0 110.689 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -61.44 -40.74 95.55 Favored 'General case' 0 CA--C 1.528 0.107 0 O-C-N 122.141 -0.35 . . . . 0.0 110.719 178.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.11 -54.91 34.53 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 121.918 -0.489 . . . . 0.0 111.716 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.9 pt -58.5 -42.86 85.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.1 -43.62 18.22 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 125.019 1.295 . . . . 0.0 112.512 170.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.42 -59.71 5.01 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.282 1.041 . . . . 0.0 109.973 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -51.27 -49.51 61.05 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.555 0.742 . . . . 0.0 109.842 178.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.17 -49.77 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.093 -176.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.08 -54.73 34.69 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 125.06 1.314 . . . . 0.0 109.982 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mt -49.9 -57.39 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -51.57 -59.27 4.46 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.851 0.358 . . . . 0.0 110.996 -177.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -69.31 -29.74 67.65 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -171.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -58.66 -48.35 81.37 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.635 0.652 . . . . 0.0 109.538 171.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -62.64 -48.99 76.95 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.219 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.7 m -46.84 -47.31 21.22 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 119.144 0.884 . . . . 0.0 110.298 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 C-N-CA 126.463 1.982 . . . . 0.0 114.538 177.803 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 . . . . . 0 CA--C 1.538 0.492 0 CA-C-O 120.633 0.254 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 p -142.46 114.23 8.04 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.64 1.576 . . . . 0.0 108.41 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.84 153.79 22.0 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 168.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.4 t -94.45 -179.29 4.85 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.638 0.654 . . . . 0.0 109.654 169.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -64.16 -67.53 0.42 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.647 1.179 . . . . 0.0 111.214 -169.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -60.68 -33.31 72.67 Favored 'General case' 0 C--O 1.226 -0.184 0 O-C-N 121.696 -0.628 . . . . 0.0 110.347 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -61.24 -47.11 87.58 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.111 0.564 . . . . 0.0 110.472 176.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.545 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.0 tm? -56.91 -48.6 77.85 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.693 -0.629 . . . . 0.0 109.372 171.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -54.75 -44.34 73.51 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.147 -0.971 . . . . 0.0 110.805 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -54.92 -52.46 62.85 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.351 1.461 . . . . 0.0 110.348 175.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -46.07 -53.43 10.24 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.803 0.841 . . . . 0.0 109.873 172.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.6 mt -63.71 -44.36 98.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.941 -0.474 . . . . 0.0 111.482 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -61.79 -44.66 96.43 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.909 -0.494 . . . . 0.0 109.694 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -78.9 -42.5 27.04 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 111.463 0.171 . . . . 0.0 111.463 -172.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -79.95 -60.12 2.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.8 mt . . . . . 0 N--CA 1.461 0.102 0 O-C-N 121.899 -0.501 . . . . 0.0 110.402 -169.311 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.225 -0.206 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.28 -48.71 68.11 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.384 0.611 . . . . 0.0 111.104 173.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -61.39 -46.0 92.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.4 mm -55.7 -47.04 79.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-O 118.777 -0.63 . . . . 0.0 110.505 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.25 23.9 m -71.82 -32.21 43.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 119.466 1.03 . . . . 0.0 112.241 -177.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -59.62 -51.02 71.61 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.217 0.917 . . . . 0.0 109.251 169.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tt -55.0 -44.3 74.38 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.642 0.777 . . . . 0.0 111.202 176.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 62.6 ttp -58.02 -51.35 70.02 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.514 1.125 . . . . 0.0 108.984 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -52.52 -49.41 64.87 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 123.086 0.555 . . . . 0.0 109.926 175.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -60.22 -38.21 82.68 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.86 -0.525 . . . . 0.0 111.692 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mt -66.74 -52.63 42.2 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.318 0.647 . . . . 0.0 111.436 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -72.58 -33.72 66.96 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 121.843 -0.536 . . . . 0.0 112.094 -173.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.3 tpt85 -53.3 -37.95 62.69 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 123.098 0.559 . . . . 0.0 111.09 -169.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -50.05 -32.75 16.28 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.047 0.939 . . . . 0.0 112.166 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -137.45 56.82 1.76 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 168.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 p30 49.25 -87.68 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.634 1.973 . . . . 0.0 113.723 176.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -90.7 -35.0 15.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.514 1.126 . . . . 0.0 111.183 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -93.01 124.44 36.98 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.573 0.701 . . . . 0.0 110.177 -169.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.9 t -79.18 91.08 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 168.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -77.5 145.25 37.12 Favored 'General case' 0 CA--C 1.528 0.111 0 O-C-N 122.138 -0.352 . . . . 0.0 110.189 -175.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -45.62 -58.07 3.71 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -170.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -61.66 -34.67 76.13 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.022 -1.049 . . . . 0.0 110.828 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -68.0 -39.72 83.15 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.189 0.596 . . . . 0.0 109.41 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -55.48 -52.81 62.41 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.876 0.471 . . . . 0.0 110.304 169.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.8 mm -56.75 -52.09 58.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 118.462 0.573 . . . . 0.0 110.417 178.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.5 m -53.1 -48.7 67.58 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.169 0.988 . . . . 0.0 110.41 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -62.0 -44.24 97.14 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 119.167 -0.444 . . . . 0.0 110.43 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.15 -35.25 69.29 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.381 0.991 . . . . 0.0 110.202 173.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.59 -50.74 62.69 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 169.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.7 -47.47 79.85 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.538 -0.978 . . . . 0.0 111.201 176.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.5 tp -53.74 -49.58 67.86 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.433 1.493 . . . . 0.0 109.512 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -58.22 -44.39 88.19 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.024 0.929 . . . . 0.0 111.136 176.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 20.7 ttt -64.66 -41.24 96.24 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.992 -0.443 . . . . 0.0 111.046 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.45 -42.21 92.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 C-N-CA 124.371 1.068 . . . . 0.0 109.046 174.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.5 m-30 -72.11 57.59 0.35 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.349 0.66 . . . . 0.0 109.697 169.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -56.56 -35.24 67.92 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.363 -0.836 . . . . 0.0 111.892 -171.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -47.52 -43.74 25.09 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.482 1.113 . . . . 0.0 111.387 171.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.42 91.26 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 122.908 0.483 . . . . 0.0 110.852 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 CA--C 1.528 0.108 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 175.907 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.541 0.618 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -46.15 -44.54 19.41 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.988 3.125 . . . . 0.0 114.229 174.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 tp -75.19 -46.03 36.7 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.977 0.808 . . . . 0.0 109.553 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -51.03 -48.19 61.52 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 123.444 0.698 . . . . 0.0 110.714 -177.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -61.14 -40.11 92.61 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 117.914 0.324 . . . . 0.0 111.301 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.36 -54.67 25.51 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.831 -0.543 . . . . 0.0 110.886 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 42.5 pt -58.13 -42.48 83.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 120.03 -0.668 . . . . 0.0 109.217 175.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.15 -43.76 13.85 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 126.016 1.769 . . . . 0.0 112.276 170.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.68 -61.08 2.88 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.802 0.841 . . . . 0.0 109.864 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -52.25 -46.22 65.69 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.767 0.827 . . . . 0.0 110.127 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.464 HD11 ' HB1' ' A' ' 81' ' ' ALA . 59.5 mt -58.5 -54.41 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 123.737 0.815 . . . . 0.0 109.846 -178.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.83 -52.21 53.52 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mt -47.88 -48.9 11.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 123.405 0.682 . . . . 0.0 110.083 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -66.95 -64.14 0.91 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.21 0.529 . . . . 0.0 111.759 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.97 -31.05 70.64 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -166.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -63.83 -46.31 85.62 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 120.24 -0.584 . . . . 0.0 109.836 172.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -71.25 -44.22 65.7 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 119.255 -0.402 . . . . 0.0 111.879 -175.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.9 p -62.04 -46.96 86.85 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 119.261 0.937 . . . . 0.0 109.413 171.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 C-N-CA 124.27 0.938 . . . . 0.0 112.037 173.368 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t -138.05 148.01 44.65 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 124.487 1.115 . . . . 0.0 110.46 173.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 tt -133.72 121.23 21.63 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -169.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 25.3 p -78.91 170.82 16.09 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.508 0.67 . . . . 0.0 111.83 -171.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -57.43 -62.39 1.81 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.619 1.168 . . . . 0.0 112.221 -168.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -70.25 -30.76 67.88 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.639 -0.663 . . . . 0.0 110.487 -175.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -61.26 -43.37 98.99 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.461 -0.774 . . . . 0.0 109.501 173.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.439 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.7 tm? -59.23 -48.37 81.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 173.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -50.71 -46.41 58.94 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.489 -0.757 . . . . 0.0 110.666 175.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -58.9 -47.52 84.69 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 122.661 0.384 . . . . 0.0 110.869 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tt -50.8 -54.57 22.48 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.348 0.659 . . . . 0.0 110.03 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 80.5 mt -59.29 -53.58 46.13 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -56.86 -28.76 62.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 123.318 0.647 . . . . 0.0 111.721 -175.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -78.85 -58.3 3.31 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.439 0.563 . . . . 0.0 112.179 170.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -68.83 -69.57 0.32 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 122.753 1.264 . . . . 0.0 108.922 -175.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 65.7 mt . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 -176.41 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 119.579 -0.248 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.46 -47.49 72.87 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.293 0.497 . . . . 0.0 111.245 169.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -63.12 -43.46 98.34 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 37.5 mm -56.08 -43.95 77.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 CA-C-O 117.943 -1.027 . . . . 0.0 111.525 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 m -65.45 -33.05 61.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 120.88 1.673 . . . . 0.0 112.291 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -62.0 -50.3 72.59 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.116 -0.99 . . . . 0.0 109.779 171.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.27 -39.63 83.53 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.939 -0.476 . . . . 0.0 111.439 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.0 ttp -58.04 -53.46 58.05 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 125.085 1.354 . . . . 0.0 108.735 173.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -50.8 -50.65 55.74 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -55.53 -52.29 64.2 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 117.807 0.276 . . . . 0.0 111.04 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mt -53.7 -57.55 10.41 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 123.61 0.764 . . . . 0.0 111.624 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -63.77 -38.96 93.06 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 121.736 -0.602 . . . . 0.0 110.891 -178.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 . . . . . 0 C--O 1.231 0.107 0 C-N-CA 123.967 0.907 . . . . 0.0 110.022 177.459 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 . . . . . 0 C--O 1.233 0.225 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 14.5 p -76.65 118.15 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -170.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -84.25 148.65 26.58 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -44.24 -60.46 1.9 Allowed 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -169.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -59.61 -38.59 81.68 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.322 -0.861 . . . . 0.0 110.909 -176.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 -66.23 -40.11 90.03 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.448 1.099 . . . . 0.0 110.549 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -55.46 -50.17 70.58 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.843 -0.535 . . . . 0.0 110.051 170.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.4 mm -57.6 -47.95 84.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.6 m -52.01 -47.71 64.82 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.964 0.906 . . . . 0.0 110.431 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -63.95 -45.06 90.85 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 122.671 0.388 . . . . 0.0 110.589 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.8 mt -57.42 -34.69 69.19 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.151 -0.968 . . . . 0.0 110.489 173.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.75 -49.42 70.6 Favored Glycine 0 CA--C 1.532 1.14 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 168.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.14 -50.89 63.62 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 117.368 0.584 . . . . 0.0 110.648 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.9 tp -56.4 -45.17 80.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.156 0.983 . . . . 0.0 110.312 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.77 89.04 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.348 0.659 . . . . 0.0 111.046 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 27.4 ptm -68.64 -33.24 73.66 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.133 0.879 . . . . 0.0 112.471 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 70.5 mt -56.41 -44.26 79.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -73.54 50.33 0.32 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.799 0.839 . . . . 0.0 111.342 169.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -41.15 -40.55 1.56 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 127.3 2.24 . . . . 0.0 112.127 171.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -54.47 -45.37 73.15 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.42 0.688 . . . . 0.0 111.151 176.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.75 94.2 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.942 0.497 . . . . 0.0 110.182 176.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.82 -51.71 68.81 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.927 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -66.78 -43.16 84.71 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.622 0.249 . . . . 0.0 110.748 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.26 0 CA-C-O 117.432 -1.76 . . . . 0.0 111.25 -178.484 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.536 0.436 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.82 -37.17 97.39 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.5 2.133 . . . . 0.0 113.284 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.1 tp -81.22 -46.43 14.84 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 118.349 0.522 . . . . 0.0 109.733 174.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -50.29 -45.56 54.6 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 123.819 0.848 . . . . 0.0 110.543 -176.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -59.98 -38.48 82.67 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 117.987 0.358 . . . . 0.0 111.707 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.6 -53.96 13.9 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.717 -0.614 . . . . 0.0 110.551 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.4 pt -57.93 -41.56 80.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 119.726 -0.789 . . . . 0.0 109.1 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.52 -43.21 20.65 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 125.852 1.691 . . . . 0.0 112.243 169.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.48 -60.36 3.97 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.548 1.174 . . . . 0.0 109.962 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -50.85 -47.63 60.21 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 123.442 0.697 . . . . 0.0 110.219 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.492 HD11 ' HB1' ' B' ' 81' ' ' ALA . 61.6 mt -61.45 -49.19 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.253 0.621 . . . . 0.0 109.648 -179.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.54 -53.43 46.04 Favored Glycine 0 CA--C 1.522 0.522 0 C-N-CA 124.427 1.013 . . . . 0.0 110.6 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.1 mt -49.55 -55.12 5.08 Favored 'Isoleucine or valine' 0 C--N 1.339 0.119 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 175.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -53.6 -55.85 22.22 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.331 0.586 . . . . 0.0 111.475 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.4 -19.82 65.45 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 118.089 -0.958 . . . . 0.0 113.545 -170.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -58.72 -52.31 66.23 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.343 1.429 . . . . 0.0 108.959 168.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -75.38 -40.89 57.51 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.726 -173.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 m -63.51 -36.83 85.07 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.22 -0.925 . . . . 0.0 110.602 170.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.557 0 C-N-CA 125.69 1.614 . . . . 0.0 109.922 169.798 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.7 m -158.47 152.64 24.03 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.429 1.892 . . . . 0.0 106.037 -172.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.4 mt -122.3 140.23 52.87 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 170.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.2 m -77.2 151.26 35.29 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 168.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -49.14 -40.98 34.68 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -168.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -74.85 -32.36 61.9 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.778 -0.576 . . . . 0.0 111.464 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.87 -44.77 92.11 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 173.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.586 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.5 tm? -54.95 -49.87 70.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 170.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -54.74 -42.27 71.42 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.326 -0.859 . . . . 0.0 110.292 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -58.12 -50.29 74.0 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.375 0.534 . . . . 0.0 111.126 175.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -46.54 -54.13 9.95 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.423 0.689 . . . . 0.0 110.016 172.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.5 mt -61.15 -55.75 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 O-C-N 122.102 -0.374 . . . . 0.0 110.608 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -53.69 -39.82 65.48 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 122.528 0.331 . . . . 0.0 111.136 -176.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -77.97 -56.19 4.69 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.88 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -75.01 -55.48 5.7 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.047 0.451 . . . . 0.0 110.089 -171.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.0 mt . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 179.616 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 119.316 -0.373 . . . . 0.0 111.474 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.8 -49.26 71.42 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.247 0.476 . . . . 0.0 111.312 172.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -60.18 -47.3 86.53 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 176.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.7 mm -54.74 -43.3 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.985 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.326 13.5 m -69.41 -32.93 55.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 120.362 1.437 . . . . 0.0 113.069 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -62.82 -47.55 82.91 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 119.072 -1.051 . . . . 0.0 109.318 169.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.83 -45.14 82.54 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.732 -0.605 . . . . 0.0 112.036 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.408 ' HB2' HD12 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -68.97 -36.64 78.12 Favored 'General case' 0 C--N 1.34 0.159 0 O-C-N 121.073 -1.017 . . . . 0.0 109.706 -179.302 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -54.89 -53.08 60.09 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 171.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -53.42 -51.93 61.02 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.563 0.345 . . . . 0.0 111.55 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mt -53.69 -54.46 37.54 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 122.941 0.496 . . . . 0.0 111.099 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -31.11 63.5 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.965 -0.54 . . . . 0.0 112.0 -170.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -48.14 -42.89 30.56 Favored 'General case' 0 C--N 1.338 0.107 0 C-N-CA 124.276 1.03 . . . . 0.0 110.47 -173.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -43.05 -39.85 2.88 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.461 1.104 . . . . 0.0 112.498 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -138.5 60.44 1.61 Allowed 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 169.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 13.37 88.75 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 128.04 2.536 . . . . 0.0 114.824 173.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 96.57 -27.48 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 128.144 2.578 . . . . 0.0 112.621 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -103.54 108.14 19.28 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.992 0.917 . . . . 0.0 109.426 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.3 t -78.63 93.44 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 173.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -77.13 146.67 37.02 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.835 -0.541 . . . . 0.0 109.933 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -43.55 -51.47 6.8 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.034 0.934 . . . . 0.0 113.399 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -57.85 -43.73 86.07 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.372 0.606 . . . . 0.0 110.033 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -70.43 -37.62 74.42 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.515 0.726 . . . . 0.0 110.169 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -53.84 -53.84 46.9 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.189 0.596 . . . . 0.0 110.132 169.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.0 mm -59.2 -50.28 80.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 118.502 0.592 . . . . 0.0 110.381 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 50.8 m -51.27 -46.84 62.55 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.495 0.718 . . . . 0.0 110.765 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -65.77 -43.12 89.79 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.165 0.586 . . . . 0.0 110.551 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.4 mt -56.56 -35.27 67.95 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.594 1.088 . . . . 0.0 110.289 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.56 -49.79 67.26 Favored Glycine 0 CA--C 1.533 1.161 0 N-CA-C 111.374 -0.691 . . . . 0.0 111.374 168.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.77 -45.35 78.14 Favored 'General case' 0 C--O 1.224 -0.26 0 O-C-N 121.849 -0.795 . . . . 0.0 111.133 173.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.5 tp -58.26 -45.95 86.88 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.407 1.083 . . . . 0.0 109.809 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.8 -52.12 65.08 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.534 0.733 . . . . 0.0 110.423 173.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -57.32 -41.0 79.09 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.984 0.514 . . . . 0.0 111.701 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.6 mt -68.5 -45.49 81.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 125.013 1.325 . . . . 0.0 110.458 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -52.68 -47.36 67.25 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 171.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 73.05 -57.53 0.63 Allowed 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 125.471 1.508 . . . . 0.0 113.73 167.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -50.14 -40.34 46.04 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.194 0.597 . . . . 0.0 109.949 174.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.49 -42.87 7.48 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.186 1.394 . . . . 0.0 112.329 173.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 40.5 mt . . . . . 0 CA--C 1.532 0.254 0 C-N-CA 123.231 0.613 . . . . 0.0 110.964 -179.694 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.48 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.93 -45.59 39.75 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.472 2.781 . . . . 0.0 111.901 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 56.8 tp -67.95 -46.18 72.17 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -52.92 -50.19 64.45 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 122.924 0.489 . . . . 0.0 110.611 -178.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -61.08 -41.05 95.91 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.121 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.33 -54.85 34.49 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.723 -0.611 . . . . 0.0 111.982 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 32.2 pt -57.43 -43.58 82.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.43 -42.4 13.44 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 125.427 1.489 . . . . 0.0 112.492 171.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -60.4 3.89 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.127 0.963 . . . . 0.0 109.928 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -51.44 -48.12 62.82 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.451 0.701 . . . . 0.0 110.213 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.41 -56.34 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 123.863 0.865 . . . . 0.0 108.983 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.04 -52.1 41.94 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 124.39 0.995 . . . . 0.0 111.261 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mt -51.11 -52.94 16.53 Favored 'Isoleucine or valine' 0 C--N 1.34 0.156 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -57.36 -61.78 2.24 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 120.813 0.339 . . . . 0.0 111.636 -177.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -68.67 -23.21 64.37 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -169.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -59.59 -51.07 71.39 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 120.032 1.287 . . . . 0.0 109.428 169.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -64.36 -41.51 96.68 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 119.142 -0.456 . . . . 0.0 111.451 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 15.4 m -55.27 -52.94 61.79 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.944 0.793 . . . . 0.0 110.172 171.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.593 0 C-N-CA 125.801 1.667 . . . . 0.0 111.634 -178.846 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 18.2 m170 . . . . . 0 CA--C 1.534 0.338 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 97.6 m -140.85 158.89 43.31 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.309 1.444 . . . . 0.0 108.608 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 94.5 mt -124.49 139.27 54.04 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 124.84 1.256 . . . . 0.0 107.67 169.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.3 t -79.34 153.3 29.9 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 168.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -50.93 -46.3 60.83 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.54 0.736 . . . . 0.0 112.796 -171.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -71.7 -29.48 64.61 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.186 -0.946 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -66.14 -41.85 89.9 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.521 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.0 tm? -56.04 -48.89 75.15 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 170.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -53.21 -48.2 68.32 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 120.91 -1.119 . . . . 0.0 110.589 175.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -54.58 -47.06 73.75 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 122.537 0.335 . . . . 0.0 110.932 177.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 tt -51.09 -54.18 27.34 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 124.148 0.979 . . . . 0.0 109.514 174.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 47.5 mt -59.6 -49.45 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 O-C-N 122.056 -0.403 . . . . 0.0 110.995 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -57.62 -42.26 82.99 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 122.209 -0.307 . . . . 0.0 110.813 -177.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -74.93 -51.19 14.41 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.617 0.644 . . . . 0.0 112.125 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -80.37 -45.41 17.77 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.321 0.648 . . . . 0.0 112.245 -169.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 CA--C 1.532 0.262 0 C-N-CA 123.215 0.606 . . . . 0.0 109.504 -176.782 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 . . . . . 0 CA--C 1.532 0.288 0 CA-C-O 119.417 -0.325 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.12 78.26 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.049 0.452 . . . . 0.0 111.296 172.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -60.59 -45.88 92.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 18.1 mm -57.29 -42.14 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-O 117.605 -1.188 . . . . 0.0 111.311 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 m -68.73 -36.85 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 121.138 1.79 . . . . 0.0 112.47 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.51 -52.22 66.5 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.106 0.866 . . . . 0.0 109.696 173.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.54 -42.95 79.35 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.625 1.17 . . . . 0.0 111.245 177.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 60.9 ttp -58.07 -49.22 77.67 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.85 1.26 . . . . 0.0 108.551 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -56.49 -49.17 75.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 176.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -56.55 -41.69 77.26 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 122.023 -0.423 . . . . 0.0 112.102 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.53 -51.69 64.38 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.851 0.86 . . . . 0.0 110.689 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.45 -27.28 56.11 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -170.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 45.2 ttm180 . . . . . 0 CA--C 1.529 0.138 0 C-N-CA 123.654 0.781 . . . . 0.0 110.514 -176.685 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 3.1 t -107.06 106.24 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 125.138 1.375 . . . . 0.0 107.525 177.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -80.53 152.22 28.77 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.835 -0.54 . . . . 0.0 110.215 174.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -43.47 -60.65 1.65 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -170.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.84 -36.02 82.53 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 118.99 -1.084 . . . . 0.0 110.599 -174.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -62.76 -41.85 99.41 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.26 0.624 . . . . 0.0 109.731 177.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -54.06 -53.51 52.09 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 117.831 0.287 . . . . 0.0 110.795 170.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.3 mm -56.36 -49.46 76.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 118.006 0.366 . . . . 0.0 110.087 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 48.9 m -53.31 -49.91 66.03 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.399 1.079 . . . . 0.0 110.162 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -61.03 -46.22 91.59 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 119.307 -0.377 . . . . 0.0 110.454 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 61.4 mt -56.79 -35.47 68.75 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.057 0.844 . . . . 0.0 110.5 174.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.67 -51.94 53.63 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 169.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.68 -46.03 81.39 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 117.76 0.78 . . . . 0.0 111.25 176.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.3 tp -55.17 -49.35 72.07 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.654 1.182 . . . . 0.0 109.711 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.492 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -60.07 -41.65 92.87 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.494 0.718 . . . . 0.0 111.148 177.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.06 -47.0 86.62 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 71.2 mt -56.51 -40.45 68.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -72.31 60.04 0.43 Allowed 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.812 -0.555 . . . . 0.0 111.563 171.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -48.71 -33.41 10.09 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.232 -0.918 . . . . 0.0 111.682 169.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -55.13 -46.72 75.64 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.486 0.714 . . . . 0.0 110.328 173.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.89 82.95 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.888 0.475 . . . . 0.0 110.052 177.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 55.2 mt -53.1 -51.69 61.06 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 117.692 0.224 . . . . 0.0 110.853 176.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -64.9 -46.87 79.94 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 117.09 -1.95 . . . . 0.0 111.384 179.76 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -61.52 -46.67 13.69 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.226 1.951 . . . . 0.0 112.607 -174.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.3 tp -77.69 -44.63 27.35 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -51.18 -47.17 62.25 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.588 0.755 . . . . 0.0 110.81 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -62.26 -36.1 81.0 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 119.855 -0.738 . . . . 0.0 111.558 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.52 -53.05 17.73 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.758 -0.589 . . . . 0.0 110.785 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.5 pt -58.03 -41.98 81.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.93 -46.07 25.85 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.978 1.275 . . . . 0.0 112.141 170.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.47 ' CD1' HD12 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -56.77 -59.63 4.74 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.227 1.013 . . . . 0.0 110.051 179.375 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -50.41 -50.39 51.95 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 123.334 0.654 . . . . 0.0 109.748 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.66 -46.28 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.97 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.06 -54.95 33.75 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.47 HD12 ' CD1' ' A' ' 11' ' ' LEU . 3.8 mt -51.58 -53.55 15.96 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 CA-C-N 117.386 0.593 . . . . 0.0 109.419 178.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -55.72 -63.16 1.26 Allowed 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.845 -178.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -72.64 -22.71 60.9 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 119.218 -0.42 . . . . 0.0 111.96 -169.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -59.52 -50.1 75.2 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 169.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -60.34 -46.93 88.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.475 -0.774 . . . . 0.0 111.426 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 m -50.0 -54.46 19.97 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.164 0.893 . . . . 0.0 110.721 172.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 C-N-CA 125.566 1.555 . . . . 0.0 112.074 179.861 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 . . . . . 0 CA--C 1.54 0.588 0 CA-C-O 121.747 0.784 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 t -156.18 164.6 38.17 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 126.56 1.944 . . . . 0.0 106.724 -176.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.7 mt -132.99 149.81 52.21 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.372 1.069 . . . . 0.0 109.018 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.2 p -95.34 178.75 5.41 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.93 1.292 . . . . 0.0 111.019 175.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -60.48 -68.15 0.33 Allowed 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.16 0.984 . . . . 0.0 112.088 -170.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -63.42 -35.9 81.95 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.785 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -56.79 -49.19 76.06 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.03 0.532 . . . . 0.0 109.729 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.498 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.6 tm? -59.81 -48.38 81.92 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -55.66 -42.21 74.75 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 119.298 -0.961 . . . . 0.0 110.603 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -62.54 -38.54 90.41 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.241 1.016 . . . . 0.0 111.193 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 tt -55.31 -54.18 46.84 Favored 'General case' 0 C--N 1.338 0.098 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 169.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.2 mt -62.78 -46.95 95.06 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 CA-C-O 119.015 -0.517 . . . . 0.0 111.306 -175.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -58.36 -40.4 82.15 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 119.524 1.057 . . . . 0.0 111.069 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.31 -54.67 18.65 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.336 0.516 . . . . 0.0 110.055 177.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -75.24 -46.51 33.36 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -169.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.9 mt . . . . . 0 C--N 1.33 -0.258 0 C-N-CA 125.648 1.579 . . . . 0.0 107.345 -177.679 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 . . . . . 0 C--O 1.225 -0.203 0 N-CA-C 111.493 0.183 . . . . 0.0 111.493 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.73 -48.77 40.33 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.683 1.193 . . . . 0.0 111.28 172.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -65.1 -42.36 94.11 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.0 mm -57.79 -47.57 85.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 118.969 -0.538 . . . . 0.0 110.604 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.1 m -66.69 -36.6 77.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 119.68 1.127 . . . . 0.0 111.664 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -58.79 -51.45 69.93 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.025 0.829 . . . . 0.0 110.194 172.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.64 -45.17 73.72 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.277 1.031 . . . . 0.0 110.877 176.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -60.2 -47.59 85.33 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.748 0.819 . . . . 0.0 109.569 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -54.05 -52.8 59.74 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -53.3 -49.13 67.63 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.966 0.506 . . . . 0.0 111.019 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mt -50.97 -60.89 2.61 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.435 0.694 . . . . 0.0 110.409 175.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -73.51 -24.93 60.23 Favored 'General case' 0 CA--C 1.527 0.093 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -171.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -53.33 -36.0 60.81 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.533 0.733 . . . . 0.0 110.654 -176.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -44.75 -38.59 4.56 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.571 1.149 . . . . 0.0 112.51 175.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -131.01 54.01 1.94 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.962 0.887 . . . . 0.0 109.649 169.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.2 p30 54.01 -17.6 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 119.568 3.173 . . . . 0.0 119.568 167.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -166.92 -39.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 120.313 1.415 . . . . 0.0 111.251 -170.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -110.78 146.34 36.55 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 172.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.6 p -93.53 126.44 45.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 168.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -88.16 160.27 17.82 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -44.79 -61.79 1.46 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -175.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -63.66 -32.82 74.42 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.087 -1.008 . . . . 0.0 110.907 -175.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -62.14 -45.66 92.44 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -54.42 -52.07 62.91 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.681 0.793 . . . . 0.0 110.422 173.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.0 mm -57.52 -51.13 73.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 118.507 0.594 . . . . 0.0 110.608 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.1 m -54.1 -47.92 71.26 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.654 0.781 . . . . 0.0 110.06 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -60.86 -44.74 96.6 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 119.112 -0.471 . . . . 0.0 110.39 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.0 mt -56.78 -34.96 68.15 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.357 0.981 . . . . 0.0 110.62 173.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.38 -52.01 54.23 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 121.733 -0.604 . . . . 0.0 111.601 169.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.57 -44.64 77.04 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.76 -0.847 . . . . 0.0 111.19 175.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.9 tp -58.95 -44.73 91.48 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.538 1.135 . . . . 0.0 109.895 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.75 90.59 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.553 0.741 . . . . 0.0 110.947 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 68.6 mtm -59.06 -45.38 90.95 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.489 0.586 . . . . 0.0 111.515 173.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 80.3 mt -58.5 -44.87 89.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -73.08 54.02 0.38 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.733 0.813 . . . . 0.0 110.05 171.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -57.65 -30.95 65.83 Favored 'General case' 0 N--CA 1.457 -0.109 0 O-C-N 121.271 -0.893 . . . . 0.0 112.613 -169.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -46.2 -43.79 15.57 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.327 1.051 . . . . 0.0 111.253 171.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.3 95.16 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 122.69 0.396 . . . . 0.0 110.64 177.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.363 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -52.5 -52.58 8.56 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.711 2.274 . . . . 0.0 114.266 -169.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 59.6 tp -72.46 -45.63 58.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 121.535 -0.728 . . . . 0.0 109.794 177.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -52.37 -45.74 65.91 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.687 0.395 . . . . 0.0 111.049 -176.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -66.83 -36.01 81.36 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.147 0.43 . . . . 0.0 111.063 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.2 -53.87 32.06 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 121.676 -0.64 . . . . 0.0 111.013 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 35.5 pt -58.24 -41.9 82.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 174.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.18 -41.38 11.34 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.658 1.599 . . . . 0.0 112.694 169.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.41 -59.63 4.96 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.417 1.108 . . . . 0.0 109.716 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -52.63 -47.52 66.98 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.486 0.714 . . . . 0.0 109.984 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.2 mt -59.74 -50.23 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 124.049 0.94 . . . . 0.0 109.865 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.67 -54.72 35.52 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 125.008 1.29 . . . . 0.0 110.048 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mt -48.17 -53.28 6.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 176.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -57.83 -56.48 21.43 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.335 -178.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -73.45 -28.06 61.75 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 121.911 -0.493 . . . . 0.0 112.164 -170.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -59.79 -51.91 67.71 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 170.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -56.76 -57.03 14.22 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.49 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.9 t -46.18 -51.42 14.19 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.02 0.928 . . . . 0.0 111.334 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.825 0 C-N-CA 124.725 1.155 . . . . 0.0 112.586 177.57 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 22.8 m170 . . . . . 0 CA--C 1.539 0.548 0 CA-C-O 120.765 0.317 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -151.3 150.78 30.93 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.995 1.718 . . . . 0.0 107.675 -169.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 96.6 mt -125.65 155.7 40.42 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 168.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.9 p -87.73 157.82 18.96 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 168.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -64.56 -43.54 93.6 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 120.896 -1.128 . . . . 0.0 113.249 -170.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -71.14 -35.53 71.75 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.078 -1.014 . . . . 0.0 110.595 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -56.81 -48.65 77.48 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 171.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.544 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.3 tm? -53.72 -49.0 69.05 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.009 0.524 . . . . 0.0 109.773 172.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -49.3 -48.56 46.1 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.251 -0.906 . . . . 0.0 109.79 176.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.26 -46.95 88.04 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.972 0.909 . . . . 0.0 111.941 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -47.6 -53.2 15.34 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.293 1.037 . . . . 0.0 109.017 174.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 73.1 mt -59.86 -44.8 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.952 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.27 -43.0 96.56 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 119.376 0.989 . . . . 0.0 110.691 -175.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -70.6 -56.65 6.0 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.709 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -74.91 -47.67 28.64 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.218 -0.302 . . . . 0.0 111.493 -169.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 74.9 mt . . . . . 0 CA--C 1.533 0.319 0 C-N-CA 125.626 1.57 . . . . 0.0 109.612 -176.903 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.416 0.15 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.06 -45.89 64.91 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.907 0.883 . . . . 0.0 110.741 175.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -66.34 -43.64 85.54 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 30.5 mm -53.63 -52.95 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-O 118.664 -0.684 . . . . 0.0 109.939 173.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.291 15.5 m -67.08 -34.64 71.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 119.561 1.073 . . . . 0.0 112.183 -174.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -56.95 -53.34 59.17 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.876 0.762 . . . . 0.0 110.057 169.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tt -56.47 -42.11 77.68 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.525 0.73 . . . . 0.0 111.397 178.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -62.5 -42.45 99.51 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.377 1.071 . . . . 0.0 109.734 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -57.49 -49.48 76.16 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.022 0.374 . . . . 0.0 110.049 172.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -54.28 -50.31 67.55 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 117.757 0.253 . . . . 0.0 111.205 177.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.3 mt -55.21 -55.54 30.09 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.221 0.608 . . . . 0.0 110.698 175.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -71.16 -21.11 62.22 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -172.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 CA--C 1.532 0.265 0 C-N-CA 124.053 0.941 . . . . 0.0 110.912 176.708 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.3 t -116.66 111.08 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 126.916 2.087 . . . . 0.0 105.605 169.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -79.36 146.92 32.62 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 121.72 -0.613 . . . . 0.0 109.649 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -45.16 -51.09 10.86 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.372 1.069 . . . . 0.0 113.198 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -57.38 -47.25 82.16 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.669 -0.644 . . . . 0.0 110.034 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -69.14 -34.93 75.78 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 119.442 -0.313 . . . . 0.0 110.662 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -54.94 -53.87 50.02 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.365 0.53 . . . . 0.0 110.051 169.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.0 mm -58.37 -50.69 77.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 118.672 0.669 . . . . 0.0 110.227 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 35.5 m -52.83 -45.75 67.45 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.495 0.718 . . . . 0.0 110.779 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -66.34 -43.76 85.18 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 123.552 0.741 . . . . 0.0 110.206 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 80.9 mt -56.69 -35.32 68.34 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.179 0.9 . . . . 0.0 110.058 172.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.57 -50.14 64.95 Favored Glycine 0 CA--C 1.532 1.139 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 168.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.93 -45.93 78.62 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.58 -0.953 . . . . 0.0 111.182 174.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.1 tp -58.08 -46.32 85.66 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.182 0.993 . . . . 0.0 109.723 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.88 -42.97 85.7 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.722 0.809 . . . . 0.0 110.746 174.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 36.0 ttm -60.51 -44.74 95.7 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.996 -0.44 . . . . 0.0 111.227 174.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.99 -41.56 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.285 0.634 . . . . 0.0 109.35 174.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -73.15 58.81 0.52 Allowed 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.858 -0.527 . . . . 0.0 110.556 169.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -51.09 -40.47 58.46 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.569 1.148 . . . . 0.0 111.581 -175.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -57.64 -35.78 70.97 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.93 0.492 . . . . 0.0 111.482 178.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.84 -47.11 84.8 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 10.6 mt -60.89 -40.66 93.9 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 121.134 -0.227 . . . . 0.0 110.883 176.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -56.14 -46.8 79.11 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.465 0.706 . . . . 0.0 109.893 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.175 0 CA-C-O 117.242 -1.866 . . . . 0.0 111.632 174.602 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.528 0 CA-C-O 118.667 -0.682 . . . . 0.0 112.032 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -44.62 -44.13 14.01 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.599 2.866 . . . . 0.0 114.708 171.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.4 tp -72.46 -49.59 32.23 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 119.664 1.12 . . . . 0.0 110.441 176.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -50.74 -47.85 59.27 Favored 'General case' 0 N--CA 1.458 -0.075 0 C-N-CA 124.394 1.078 . . . . 0.0 110.259 -175.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -61.15 -37.16 81.84 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.365 -0.209 . . . . 0.0 111.424 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.56 -54.0 19.43 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.717 -0.614 . . . . 0.0 110.767 -178.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.8 pt -57.34 -43.43 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 174.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.74 -44.02 23.24 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 125.377 1.465 . . . . 0.0 112.33 171.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -60.65 3.49 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.235 1.014 . . . . 0.0 109.666 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -51.31 -47.45 62.61 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.387 0.675 . . . . 0.0 110.326 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.459 HD11 ' HB1' ' B' ' 81' ' ' ALA . 58.5 mt -61.81 -51.05 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.055 0.542 . . . . 0.0 109.911 -177.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.31 -54.1 38.22 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -50.97 -55.76 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -53.28 -60.67 3.0 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.123 0.487 . . . . 0.0 111.193 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -71.34 -22.46 61.91 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.758 -168.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -61.52 -55.66 28.57 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 119.302 0.956 . . . . 0.0 109.091 168.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -63.26 -36.83 84.95 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 118.948 -0.548 . . . . 0.0 111.365 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.5 m -58.37 -59.15 5.79 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 119.23 0.923 . . . . 0.0 109.066 169.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.697 0 C-N-CA 125.739 1.638 . . . . 0.0 112.79 179.566 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 . . . . . 0 CA--C 1.539 0.54 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.9 p -149.31 138.96 21.74 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.005 1.322 . . . . 0.0 109.279 -172.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.2 mt -109.61 133.7 52.81 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 168.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.2 t -77.37 147.11 36.27 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 169.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -45.44 -45.48 12.92 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.29 1.436 . . . . 0.0 112.462 -171.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.66 -35.05 70.23 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.697 -0.627 . . . . 0.0 111.381 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.44 -41.97 92.89 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.557 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.6 tm? -56.05 -49.29 74.17 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 169.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -56.16 -40.35 73.73 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 120.879 -1.138 . . . . 0.0 110.744 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -59.58 -50.34 74.28 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.09 0.556 . . . . 0.0 110.516 175.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -46.87 -53.62 11.73 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.234 1.014 . . . . 0.0 109.635 173.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.2 mt -62.12 -52.02 65.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 O-C-N 121.788 -0.57 . . . . 0.0 110.796 -177.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -58.28 -39.78 80.16 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.892 -0.505 . . . . 0.0 111.546 -178.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -80.5 -46.3 16.07 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.716 0.689 . . . . 0.0 111.873 -176.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -82.05 -46.51 13.81 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.763 0.825 . . . . 0.0 112.595 -174.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.6 mp . . . . . 0 N--CA 1.464 0.244 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -176.726 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.225 -0.225 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.96 -48.39 70.35 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.469 0.652 . . . . 0.0 111.023 173.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -65.12 -40.41 94.44 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.0 mm -56.85 -49.66 78.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.337 0 CA-C-O 119.022 -0.513 . . . . 0.0 110.042 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.263 17.9 m -68.37 -32.44 55.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 119.108 0.867 . . . . 0.0 112.192 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -58.72 -51.48 69.8 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.206 0.912 . . . . 0.0 109.614 169.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -57.38 -42.4 82.06 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.811 0.844 . . . . 0.0 111.306 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.6 ttp -58.96 -50.5 73.81 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 124.823 1.249 . . . . 0.0 108.962 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -53.71 -50.49 65.8 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -54.91 -51.71 65.18 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.229 0.468 . . . . 0.0 110.946 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.1 mt -51.65 -61.05 2.49 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.622 0.769 . . . . 0.0 110.376 175.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.48 -25.42 61.42 Favored 'General case' 0 CA--C 1.528 0.105 0 O-C-N 121.505 -0.747 . . . . 0.0 112.999 -171.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.6 tpt85 -65.97 -14.46 61.65 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.073 0.949 . . . . 0.0 111.201 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -31.0 64.52 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.643 -0.661 . . . . 0.0 109.317 168.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -123.65 -127.29 0.25 Allowed 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 168.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -142.77 115.72 8.8 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 104.724 -2.324 . . . . 0.0 104.724 167.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 75.09 -36.31 0.31 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.954 1.302 . . . . 0.0 114.305 168.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -106.35 109.34 21.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.396 1.078 . . . . 0.0 109.194 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.06 111.02 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -77.6 150.64 34.64 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 121.418 -0.801 . . . . 0.0 109.261 175.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -39.94 -51.22 2.51 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.167 0.987 . . . . 0.0 113.114 176.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -62.46 -42.47 99.5 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.723 -0.611 . . . . 0.0 110.363 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -62.83 -44.52 95.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.967 0.907 . . . . 0.0 109.543 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -53.89 -53.63 49.94 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.426 0.691 . . . . 0.0 110.756 173.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.28 -48.85 83.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 119.026 0.83 . . . . 0.0 110.196 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.6 m -52.14 -50.58 61.46 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.355 0.598 . . . . 0.0 110.166 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.17 -45.87 92.85 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 122.619 0.368 . . . . 0.0 110.861 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.9 mt -57.64 -36.33 71.7 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.068 0.849 . . . . 0.0 110.421 175.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.7 -49.88 63.51 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 169.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.2 -44.63 92.23 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 117.733 0.766 . . . . 0.0 111.88 175.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 tp -56.1 -49.9 72.56 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.59 1.156 . . . . 0.0 109.282 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.406 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -58.98 -43.92 91.48 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.515 0.726 . . . . 0.0 110.845 176.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 14.3 tpt -60.09 -44.6 94.69 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.403 0.281 . . . . 0.0 110.648 177.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.2 mt -58.57 -40.12 77.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 123.285 0.634 . . . . 0.0 109.32 174.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -72.51 56.36 0.37 Allowed 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.748 -0.595 . . . . 0.0 112.24 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -41.47 -44.63 2.96 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 125.427 1.491 . . . . 0.0 112.113 172.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -54.22 -45.6 72.3 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.418 0.287 . . . . 0.0 110.693 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.44 97.61 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.573 0.349 . . . . 0.0 110.134 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.9 mt . . . . . 0 CA--C 1.53 0.198 0 CA-C-N 117.674 0.216 . . . . 0.0 110.717 175.859 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 CA--C 1.542 0.646 0 CA-C-O 117.73 -1.128 . . . . 0.0 114.001 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -58.11 -34.1 98.12 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 121.992 1.794 . . . . 0.0 113.403 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 58.9 tp -81.2 -46.19 15.21 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 119.12 0.873 . . . . 0.0 110.052 173.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -49.92 -47.26 52.41 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 124.156 0.982 . . . . 0.0 110.305 -176.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -58.06 -39.57 78.81 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.488 177.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.37 -53.98 16.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.908 -0.495 . . . . 0.0 110.411 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.6 pt -57.9 -43.58 84.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.39 -43.27 26.98 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 125.546 1.546 . . . . 0.0 112.268 171.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -60.05 4.49 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.079 0.952 . . . . 0.0 109.945 179.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -52.34 -45.71 65.78 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 123.407 0.683 . . . . 0.0 110.112 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.406 HD11 ' HB1' ' A' ' 81' ' ' ALA . 64.4 mt -60.1 -53.96 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 122.942 0.497 . . . . 0.0 110.102 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.63 -51.91 51.77 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 mt -49.59 -56.58 2.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -53.96 -56.93 13.25 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.276 0.56 . . . . 0.0 111.794 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -67.4 -26.09 66.27 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -169.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -59.01 -54.69 44.28 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 119.243 0.929 . . . . 0.0 109.614 169.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -68.41 -39.02 81.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 119.0 -0.524 . . . . 0.0 111.693 -175.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 83.7 p -65.89 -48.76 70.4 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 119.771 1.168 . . . . 0.0 109.214 173.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 C-N-CA 126.13 1.824 . . . . 0.0 112.446 171.209 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 110.656 -0.127 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 42.6 p -144.66 128.27 17.13 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.788 1.235 . . . . 0.0 109.628 -169.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 60.1 mt -107.56 130.14 54.91 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 169.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.1 t -78.69 178.78 7.59 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.651 0.66 . . . . 0.0 111.118 172.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -60.66 -67.48 0.39 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 125.405 1.482 . . . . 0.0 111.615 -169.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -66.54 -29.69 69.83 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.004 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -59.32 -48.41 81.74 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 173.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.529 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.6 tm? -58.25 -49.31 77.55 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -56.78 -40.26 75.55 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 119.247 -0.981 . . . . 0.0 110.811 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.57 -50.69 72.89 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.603 0.761 . . . . 0.0 110.099 175.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tt -47.2 -54.42 10.77 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.214 0.605 . . . . 0.0 109.744 172.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.4 mt -60.76 -55.55 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.664 -177.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -57.71 -39.34 76.99 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.396 0.998 . . . . 0.0 111.871 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -80.08 -41.15 26.16 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.707 -0.621 . . . . 0.0 111.551 -174.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -81.41 -56.84 3.78 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.207 0.527 . . . . 0.0 110.822 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 CA--C 1.532 0.277 0 C-N-CA 126.294 1.837 . . . . 0.0 107.685 -178.748 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 C--O 1.225 -0.185 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.3 -48.2 68.6 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.535 0.734 . . . . 0.0 111.103 175.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -64.74 -42.91 94.85 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 36.5 mm -58.3 -45.06 89.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.876 177.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 17.5 m -68.19 -35.96 73.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 120.104 1.32 . . . . 0.0 111.876 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -58.96 -51.36 70.37 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.292 0.951 . . . . 0.0 110.24 171.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.9 -44.66 74.35 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.799 0.84 . . . . 0.0 110.787 176.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 16.3 tmm? -62.39 -42.68 99.61 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.725 0.81 . . . . 0.0 109.936 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -56.6 -50.53 71.72 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 122.813 0.445 . . . . 0.0 109.965 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -54.6 -48.69 71.85 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.738 0.415 . . . . 0.0 111.266 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mt -55.86 -60.95 2.73 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.302 0.641 . . . . 0.0 110.517 174.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -65.54 -18.79 65.59 Favored 'General case' 0 C--O 1.227 -0.113 0 CA-C-O 118.247 -0.882 . . . . 0.0 113.016 -174.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 . . . . . 0 CA--C 1.53 0.2 0 C-N-CA 124.767 1.227 . . . . 0.0 111.495 177.557 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 10.1 p -101.9 119.55 50.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 125.193 1.397 . . . . 0.0 108.178 168.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -79.96 146.34 32.12 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -39.61 -55.82 1.79 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.953 1.701 . . . . 0.0 113.756 -173.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -59.81 -41.14 90.6 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.587 -0.696 . . . . 0.0 110.838 -175.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -69.94 -35.82 74.81 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.329 0.652 . . . . 0.0 109.965 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -56.46 -51.94 66.55 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.282 0.492 . . . . 0.0 110.424 169.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 30.8 mm -57.14 -49.38 79.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 118.468 0.576 . . . . 0.0 109.833 177.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 33.4 m -53.7 -47.55 70.41 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.016 0.436 . . . . 0.0 110.381 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -61.18 -43.48 98.81 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 121.489 -0.757 . . . . 0.0 110.654 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 80.0 mt -58.29 -34.27 70.35 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.204 0.911 . . . . 0.0 110.623 173.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.99 -42.89 98.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 121.698 -0.626 . . . . 0.0 111.87 168.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.95 -47.41 85.03 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.081 -1.247 . . . . 0.0 110.26 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.4 tp -54.83 -48.08 73.3 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.027 1.331 . . . . 0.0 109.71 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.459 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -57.31 -48.94 77.66 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.931 0.893 . . . . 0.0 110.896 175.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 56.2 ttp -60.51 -40.88 93.01 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 122.233 -0.292 . . . . 0.0 111.134 178.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 68.0 mt -60.82 -41.54 89.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 124.085 0.954 . . . . 0.0 109.512 174.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -73.35 52.81 0.38 Allowed 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.673 0.669 . . . . 0.0 110.117 169.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -55.47 -33.43 63.65 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 124.882 1.273 . . . . 0.0 112.846 -168.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -47.9 -38.47 16.48 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.126 0.97 . . . . 0.0 111.475 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.98 -34.96 78.64 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.947 0.499 . . . . 0.0 111.67 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 29.9 mt -76.64 -50.94 12.54 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -56.42 -44.84 80.76 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.729 0.412 . . . . 0.0 111.432 -177.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.208 0 CA-C-O 117.435 -1.758 . . . . 0.0 111.234 -177.751 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.448 -0.526 0 CA-C-O 117.71 -1.138 . . . . 0.0 113.439 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -53.47 -50.45 13.82 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.839 2.359 . . . . 0.0 112.941 -175.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.7 tp -72.17 -45.23 61.28 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 119.419 -0.912 . . . . 0.0 109.671 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -52.89 -47.65 67.76 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 122.37 0.268 . . . . 0.0 111.124 -176.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -64.24 -39.52 94.12 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.073 -0.392 . . . . 0.0 110.896 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.85 -53.24 53.72 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.398 0.545 . . . . 0.0 111.509 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.6 pt -57.75 -47.32 86.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 175.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.51 -44.3 5.18 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.277 1.418 . . . . 0.0 112.81 171.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -61.05 2.7 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.421 1.089 . . . . 0.0 110.105 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mp -52.84 -47.84 67.47 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.644 0.777 . . . . 0.0 109.994 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.65 -48.09 88.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -176.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.29 -52.52 51.14 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 124.602 1.096 . . . . 0.0 110.418 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.4 mt -46.43 -54.84 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.16 0 C-N-CA 123.409 0.684 . . . . 0.0 109.397 174.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -58.25 -62.76 1.6 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -66.59 -26.33 67.05 Favored 'General case' 0 C--O 1.226 -0.135 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -169.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -59.28 -53.2 60.96 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 169.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -67.07 -41.18 86.85 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -178.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.3 m -55.83 -58.45 7.79 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 169.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.589 0 C-N-CA 126.368 1.937 . . . . 0.0 112.837 178.564 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 . . . . . 0 CA--C 1.536 0.422 0 CA-C-O 121.034 0.445 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.4 p -138.94 161.62 36.88 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.986 1.714 . . . . 0.0 107.902 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 tt -148.14 125.85 11.84 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -176.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.34 174.66 11.35 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -168.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -60.36 -66.96 0.44 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 122.423 1.106 . . . . 0.0 112.029 -171.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -71.63 -27.94 63.44 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.583 -0.698 . . . . 0.0 109.737 -176.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -58.28 -45.7 87.41 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 171.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.503 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.5 tm? -60.97 -48.27 82.59 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 174.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -55.61 -43.95 76.58 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 118.795 -1.162 . . . . 0.0 110.831 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -57.4 -48.09 79.99 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.073 0.949 . . . . 0.0 110.44 176.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 tt -47.87 -53.93 14.15 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 123.506 0.722 . . . . 0.0 109.717 172.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.9 mt -60.55 -50.21 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 O-C-N 121.42 -0.8 . . . . 0.0 111.122 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -61.08 -31.92 71.58 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.276 -0.89 . . . . 0.0 111.419 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.91 -54.69 8.04 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.609 0.641 . . . . 0.0 112.032 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -80.63 -47.12 14.56 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.569 0.747 . . . . 0.0 112.431 -172.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 N--CA 1.461 0.085 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -176.078 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t70 . . . . . 0 CA--C 1.529 0.138 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.08 -45.87 68.36 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.017 0.527 . . . . 0.0 111.159 176.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -63.23 -46.3 87.6 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.9 mm -55.78 -46.7 79.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.886 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.27 13.9 m -68.1 -37.44 78.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 119.954 1.252 . . . . 0.0 112.102 -176.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -60.81 -50.49 73.25 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.952 0.797 . . . . 0.0 110.084 171.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -53.7 -44.45 69.8 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.523 -0.736 . . . . 0.0 111.242 176.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -63.28 -46.43 86.85 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 125.129 1.372 . . . . 0.0 109.733 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -53.01 -51.46 61.6 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 170.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -62.76 -32.24 73.34 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.653 -0.655 . . . . 0.0 112.305 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mt -66.52 -65.04 0.73 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 170.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -61.66 -30.95 71.05 Favored 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -170.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.5 ttp85 -29.93 -52.99 0.15 Allowed 'General case' 0 C--N 1.342 0.251 0 C-N-CA 127.302 2.241 . . . . 0.0 110.56 174.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -27.3 -56.88 0.1 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 127.1 2.16 . . . . 0.0 114.326 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -137.04 54.83 1.85 Allowed 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 170.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 p30 39.14 -82.44 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.359 2.264 . . . . 0.0 114.562 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -52.99 -38.73 62.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.258 1.023 . . . . 0.0 112.251 176.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -140.62 152.89 45.78 Favored 'General case' 0 C--N 1.34 0.191 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -173.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.5 p -89.9 132.94 33.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 167.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.2 153.46 24.73 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 118.447 0.567 . . . . 0.0 110.003 173.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -44.78 -52.18 8.69 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.294 1.038 . . . . 0.0 113.687 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -55.58 -48.45 74.81 Favored 'General case' 0 C--O 1.232 0.183 0 O-C-N 121.731 -0.606 . . . . 0.0 110.059 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -73.07 -30.29 63.58 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.414 -173.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -55.86 -53.96 50.46 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 168.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 20.5 mm -58.45 -49.67 81.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 118.226 0.467 . . . . 0.0 109.983 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.2 m -52.02 -50.34 61.58 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.521 0.728 . . . . 0.0 110.238 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -62.71 -44.76 95.4 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.202 1.001 . . . . 0.0 110.388 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.7 mt -57.65 -36.4 71.83 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 118.941 0.791 . . . . 0.0 110.425 173.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.65 -50.91 58.27 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 169.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.73 -46.69 77.72 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 117.703 0.752 . . . . 0.0 111.413 176.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.4 tp -57.12 -49.17 76.73 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.216 1.006 . . . . 0.0 109.846 177.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.05 -37.0 81.07 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.197 0.999 . . . . 0.0 110.514 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.554 ' HA ' HD11 ' A' ' 88' ' ' LEU . 32.8 ttp -70.12 -41.28 74.16 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.473 0.709 . . . . 0.0 111.177 176.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.9 mt -58.08 -37.7 63.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 173.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -72.19 60.13 0.41 Allowed 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.345 0.593 . . . . 0.0 111.663 169.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -48.36 -39.2 21.37 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.763 1.225 . . . . 0.0 111.536 171.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -50.0 -50.73 46.16 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.585 0.354 . . . . 0.0 110.271 173.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.92 -47.46 83.15 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.554 HD11 ' HA ' ' A' ' 82' ' ' MET . 41.5 mt . . . . . 0 CA--C 1.532 0.251 0 CA-C-N 117.676 0.217 . . . . 0.0 111.266 176.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -56.58 -42.05 69.46 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.778 2.319 . . . . 0.0 113.39 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.6 tp -80.48 -44.46 19.14 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -49.11 -46.49 44.97 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 123.705 0.802 . . . . 0.0 110.688 -177.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -63.44 -34.26 77.37 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.816 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.78 -50.14 21.99 Favored 'General case' 0 CA--C 1.53 0.173 0 O-C-N 121.581 -0.699 . . . . 0.0 111.265 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 44.1 pt -59.22 -40.2 80.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 119.485 -0.886 . . . . 0.0 109.201 172.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.2 -42.16 48.47 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.207 1.385 . . . . 0.0 112.206 170.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.03 -60.9 2.82 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 118.34 1.07 . . . . 0.0 109.678 178.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 12.2 mt -46.05 -50.71 14.83 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.186 0.994 . . . . 0.0 110.665 175.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mm -56.69 -55.78 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.104 0.961 . . . . 0.0 109.887 178.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.51 -50.25 61.12 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 124.693 1.14 . . . . 0.0 110.351 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.6 mt -55.06 -58.32 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -52.23 -58.13 7.57 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.578 0.228 . . . . 0.0 110.887 -175.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -66.98 -27.03 67.11 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 118.193 -0.908 . . . . 0.0 112.842 -174.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -55.62 -51.2 68.0 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.798 1.181 . . . . 0.0 108.597 169.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -67.95 -42.88 80.26 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.905 -0.569 . . . . 0.0 111.554 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.0 m -54.54 -51.54 64.87 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 119.167 0.894 . . . . 0.0 110.487 173.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 C-N-CA 124.45 1.024 . . . . 0.0 113.098 -176.691 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 . . . . . 0 CA--C 1.535 0.381 0 CA-C-O 121.102 0.477 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 18.5 p -139.46 152.52 47.08 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.993 1.717 . . . . 0.0 109.255 -171.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.18 129.39 39.71 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 125.332 1.453 . . . . 0.0 108.606 172.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 7.7 m -78.53 151.42 32.51 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 119.171 0.896 . . . . 0.0 109.636 174.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 pptp? -49.23 -46.64 46.18 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.896 1.278 . . . . 0.0 113.981 -168.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -26.62 51.72 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.627 -0.671 . . . . 0.0 110.65 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.18 -41.81 89.74 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 172.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.532 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.6 tm? -56.67 -49.12 75.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 169.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -54.96 -42.98 73.04 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 119.058 -1.057 . . . . 0.0 110.823 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -56.77 -49.71 74.46 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.036 0.534 . . . . 0.0 110.85 174.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 tt -49.16 -52.54 25.85 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 124.18 0.992 . . . . 0.0 109.876 175.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 65.7 mt -60.58 -55.11 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -51.62 -41.44 61.27 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 117.971 0.35 . . . . 0.0 111.705 -175.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -80.85 -53.58 6.35 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.259 0.481 . . . . 0.0 112.255 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -81.26 -28.37 34.78 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -168.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 CA--C 1.533 0.321 0 C-N-CA 126.581 1.952 . . . . 0.0 107.764 178.531 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.79 -48.89 69.36 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.333 0.587 . . . . 0.0 110.946 170.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.87 -41.44 99.39 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 37.4 mm -55.11 -47.76 76.87 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.247 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.984 174.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.286 12.1 m -67.24 -37.03 78.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 120.049 1.295 . . . . 0.0 112.526 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -58.12 -51.44 69.71 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.065 0.848 . . . . 0.0 110.297 171.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.7 -44.91 73.83 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.996 1.318 . . . . 0.0 110.908 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.3 tmm? -60.24 -45.81 91.97 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.469 1.108 . . . . 0.0 109.655 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -55.76 -49.84 72.03 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.008 0.367 . . . . 0.0 110.204 173.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -57.74 -45.44 85.84 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.728 0.411 . . . . 0.0 111.351 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 mt -57.6 -58.67 7.28 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.372 0.669 . . . . 0.0 110.052 173.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.97 -17.48 60.53 Favored 'General case' 0 N--CA 1.462 0.148 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -169.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.173 0 C-N-CA 123.995 0.918 . . . . 0.0 109.779 173.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 . . . . . 0 CA--C 1.536 0.441 0 CA-C-O 121.357 0.598 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 t -99.05 115.55 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 127.231 2.212 . . . . 0.0 106.557 171.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -79.87 146.11 32.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 119.229 0.922 . . . . 0.0 109.326 170.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -39.85 -51.37 2.43 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.665 1.186 . . . . 0.0 113.521 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -55.48 -44.12 76.18 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.638 -0.664 . . . . 0.0 111.042 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -76.65 -32.46 58.0 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.802 0.441 . . . . 0.0 111.012 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -54.34 -52.67 60.83 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 168.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.1 mm -58.57 -52.86 54.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 O-C-N 122.055 -0.403 . . . . 0.0 110.682 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 32.2 m -50.99 -48.99 61.15 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.326 0.584 . . . . 0.0 110.719 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -63.56 -44.48 94.0 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.303 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 78.0 mt -56.64 -36.46 69.52 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.084 0.856 . . . . 0.0 110.337 173.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.45 -51.08 58.58 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 169.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.4 -42.39 82.16 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 117.924 0.862 . . . . 0.0 111.645 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.5 tp -58.64 -48.61 80.43 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.438 1.095 . . . . 0.0 109.438 177.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.79 -44.2 81.66 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.889 0.476 . . . . 0.0 110.416 173.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 33.7 ttp -61.82 -40.34 94.94 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.855 0.462 . . . . 0.0 111.352 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 86.5 mt -59.39 -44.41 92.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 171.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -71.98 60.05 0.38 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.981 0.912 . . . . 0.0 112.335 175.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -42.26 -41.97 2.94 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 127.054 2.142 . . . . 0.0 111.62 170.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -52.88 -50.82 63.07 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.269 1.028 . . . . 0.0 110.028 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.12 -43.86 94.02 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.874 0.469 . . . . 0.0 110.005 177.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 60.5 mt -50.47 -51.77 44.14 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 117.911 0.323 . . . . 0.0 110.683 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.93 -45.39 74.44 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 110.544 -0.169 . . . . 0.0 110.544 178.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.067 -1.963 . . . . 0.0 110.922 176.042 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.449 -0.5 0 CA-C-O 118.593 -0.717 . . . . 0.0 112.797 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -59.66 -34.72 96.29 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 121.908 1.739 . . . . 0.0 113.814 -177.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.9 tp -81.91 -46.19 14.4 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 171.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -50.34 -45.62 55.13 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 123.427 0.691 . . . . 0.0 110.885 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -55.84 -42.65 76.1 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 120.605 0.24 . . . . 0.0 111.254 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.49 -52.0 25.05 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.986 -0.446 . . . . 0.0 110.233 -173.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.0 pt -57.54 -43.24 82.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 119.715 -0.794 . . . . 0.0 109.074 173.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.52 -45.1 17.07 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 125.177 1.37 . . . . 0.0 112.052 171.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.48 -60.64 3.35 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.882 0.873 . . . . 0.0 110.592 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mp -51.47 -49.61 61.45 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.667 0.787 . . . . 0.0 109.599 177.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.1 mt -57.94 -50.7 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.571 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.36 -55.19 31.76 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.0 mt -46.94 -52.77 3.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.342 0.657 . . . . 0.0 109.288 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -60.89 -55.84 28.18 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.383 0.611 . . . . 0.0 111.919 -177.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -68.44 -29.57 68.26 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.927 -0.559 . . . . 0.0 111.513 -170.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -57.66 -53.98 52.01 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.839 0.745 . . . . 0.0 109.965 170.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -65.4 -36.89 85.31 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 122.092 -0.38 . . . . 0.0 111.89 -177.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.9 m -59.06 -52.94 63.59 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.156 0.503 . . . . 0.0 109.77 172.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.577 0 C-N-CA 124.849 1.214 . . . . 0.0 111.428 -179.613 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.876 0.37 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.3 m -155.34 150.3 26.67 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -149.69 155.93 41.03 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.816 0.735 . . . . 0.0 110.932 173.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.2 t -78.05 154.68 31.18 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 124.171 0.988 . . . . 0.0 111.695 -168.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -49.8 -49.29 49.19 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.929 0.892 . . . . 0.0 113.065 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -70.44 -32.52 70.13 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.029 -1.044 . . . . 0.0 110.54 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.65 -40.52 97.05 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 174.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.489 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.4 tm? -58.14 -48.98 78.56 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.326 0.65 . . . . 0.0 109.545 171.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -52.36 -48.63 65.43 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.107 173.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -58.21 -35.63 71.95 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.071 0.548 . . . . 0.0 112.048 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.84 -58.97 6.24 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.029 0.932 . . . . 0.0 109.407 170.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.8 mt -54.68 -52.21 43.71 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-O 119.111 -0.471 . . . . 0.0 110.611 -176.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -58.87 -31.01 68.17 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 119.05 0.841 . . . . 0.0 112.073 -175.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -80.45 -43.36 21.05 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 119.16 0.891 . . . . 0.0 112.033 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -75.39 -67.0 0.7 Allowed 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 122.373 1.083 . . . . 0.0 109.138 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--N 1.326 -0.443 0 C-N-CA 124.866 1.266 . . . . 0.0 107.625 -179.578 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.1 t70 . . . . . 0 N--CA 1.466 0.359 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.01 -47.6 61.6 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.173 0.589 . . . . 0.0 111.092 174.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -65.59 -41.17 93.15 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.5 mm -55.1 -46.5 77.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.043 174.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.263 13.6 m -71.38 -32.7 47.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 120.474 1.488 . . . . 0.0 112.86 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -59.27 -51.26 70.74 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.513 1.051 . . . . 0.0 109.714 169.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.12 -42.46 80.92 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.146 0.978 . . . . 0.0 110.952 176.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 62.0 ttp -58.26 -49.89 75.51 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.517 1.127 . . . . 0.0 108.755 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -53.1 -50.13 65.06 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 175.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -58.93 -42.06 88.85 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.913 -0.492 . . . . 0.0 112.032 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 mt -64.45 -52.77 56.33 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.413 0.685 . . . . 0.0 111.161 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -71.91 -30.67 65.6 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.073 0.549 . . . . 0.0 112.223 -173.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -49.18 -42.02 38.59 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 123.776 0.83 . . . . 0.0 110.673 -173.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -53.08 -27.24 19.28 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.542 1.137 . . . . 0.0 112.582 -177.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -141.85 51.28 1.53 Allowed 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 167.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 p30 42.88 -89.93 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.07 2.148 . . . . 0.0 114.847 176.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -70.32 -25.56 63.37 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.375 1.47 . . . . 0.0 111.699 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -136.51 156.32 48.75 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.636 0.774 . . . . 0.0 110.726 -168.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.5 p -100.34 126.02 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 170.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -82.19 147.03 29.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 173.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -43.02 -51.78 5.55 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.693 1.197 . . . . 0.0 113.455 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -58.91 -40.11 83.53 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.506 -0.747 . . . . 0.0 110.46 -178.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -73.92 -37.08 64.72 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 123.736 0.815 . . . . 0.0 109.595 -176.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -55.13 -54.63 40.81 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.36 0.664 . . . . 0.0 109.919 169.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.8 mm -55.8 -54.76 22.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.9 m -49.64 -49.9 45.25 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 123.472 0.709 . . . . 0.0 111.047 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -64.85 -42.44 94.9 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 118.983 -0.532 . . . . 0.0 110.73 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.4 mt -57.3 -36.7 71.41 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.757 1.162 . . . . 0.0 110.074 172.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.09 -50.38 64.78 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 169.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.67 -47.71 73.27 Favored 'General case' 0 C--O 1.224 -0.256 0 O-C-N 121.97 -0.723 . . . . 0.0 110.897 175.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.4 tp -57.47 -47.62 81.39 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.941 1.297 . . . . 0.0 109.773 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.517 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -57.96 -44.48 87.07 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.668 0.787 . . . . 0.0 110.701 177.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.1 ttp -61.6 -47.66 84.47 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.9 mt -60.58 -33.82 56.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 125.04 1.336 . . . . 0.0 111.026 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -50.88 -36.91 40.49 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.017 0.826 . . . . 0.0 110.752 171.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 65.76 -67.25 0.14 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 127.655 2.382 . . . . 0.0 111.264 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -54.72 -35.08 63.29 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.079 1.352 . . . . 0.0 110.932 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.67 -35.97 69.02 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.823 0.449 . . . . 0.0 112.178 175.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 175.163 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -54.22 -44.23 51.29 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.163 2.576 . . . . 0.0 112.998 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 56.0 tp -74.43 -49.56 21.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 119.422 -0.911 . . . . 0.0 109.281 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -53.9 -43.86 70.05 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 119.537 -0.268 . . . . 0.0 111.272 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -63.94 -37.89 89.06 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.45 0.568 . . . . 0.0 111.634 176.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.48 -53.89 36.12 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.791 -0.568 . . . . 0.0 110.632 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 26.8 pt -57.44 -42.15 80.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 174.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.94 -45.77 9.26 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 125.226 1.393 . . . . 0.0 112.678 169.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.89 -59.83 4.64 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.096 0.958 . . . . 0.0 109.715 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -53.18 -46.26 68.87 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.601 0.76 . . . . 0.0 110.294 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.517 HD11 ' HB1' ' A' ' 81' ' ' ALA . 57.1 mt -59.59 -52.87 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.772 0.829 . . . . 0.0 109.761 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.71 -55.37 30.35 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 mt -50.18 -48.54 24.07 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -62.83 -65.73 0.64 Allowed 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.42 0.628 . . . . 0.0 111.71 -178.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.85 -24.63 65.28 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -166.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -60.48 -46.07 91.42 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.196 0.907 . . . . 0.0 109.895 169.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -67.68 -44.63 77.35 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.942 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 35.0 m -49.36 -46.18 46.77 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 119.208 0.913 . . . . 0.0 110.347 170.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 C-N-CA 125.633 1.587 . . . . 0.0 113.891 177.282 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 . . . . . 0 CA--C 1.539 0.521 0 CA-C-O 121.736 0.779 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 4.4 t -157.77 158.07 34.58 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 127.423 2.289 . . . . 0.0 105.758 -177.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 tt -148.6 129.33 14.17 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -168.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 7.9 p -78.72 166.44 22.48 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.93 0.786 . . . . 0.0 112.702 -169.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -60.64 -57.87 10.88 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -169.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -69.51 -33.08 72.31 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.318 -0.864 . . . . 0.0 110.001 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -59.02 -45.15 91.43 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.835 0.854 . . . . 0.0 109.792 174.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.487 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.5 tm? -57.94 -49.71 75.84 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.522 0.729 . . . . 0.0 109.115 170.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -52.71 -42.94 65.31 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.281 -0.887 . . . . 0.0 110.712 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -65.55 -39.42 91.69 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.256 1.422 . . . . 0.0 111.793 177.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tt -53.6 -53.49 51.0 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 169.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 52.9 mt -58.67 -52.98 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-O 118.929 -0.557 . . . . 0.0 109.71 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -56.94 -37.99 72.29 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.867 0.758 . . . . 0.0 111.448 -174.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -75.85 -59.85 2.58 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.088 176.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -74.49 -52.06 13.02 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.007 0.432 . . . . 0.0 111.2 -168.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--N 1.33 -0.253 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 179.338 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 t70 . . . . . 0 C--O 1.227 -0.128 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.38 -45.81 62.6 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.129 0.571 . . . . 0.0 111.137 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -65.11 -44.72 87.85 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 36.6 mm -55.78 -47.31 79.61 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 CA-C-O 118.734 -0.651 . . . . 0.0 110.469 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.263 17.4 m -72.74 -31.47 36.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 119.423 1.011 . . . . 0.0 112.728 -177.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -61.05 -50.76 72.02 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.732 1.151 . . . . 0.0 109.402 169.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 tt -54.18 -45.26 72.07 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.416 0.686 . . . . 0.0 111.029 175.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 60.3 ttp -57.57 -53.12 61.74 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 124.6 1.16 . . . . 0.0 108.848 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.02 -51.96 37.9 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 123.516 0.726 . . . . 0.0 110.117 175.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -58.31 -45.44 88.03 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 122.028 -0.42 . . . . 0.0 111.721 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.3 mt -57.96 -66.06 0.54 Allowed 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 172.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.04 -17.75 63.94 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -168.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 31.4 ttp-105 . . . . . 0 N--CA 1.454 -0.259 0 CA-C-N 118.283 0.492 . . . . 0.0 110.287 173.077 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.777 0.322 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 7.8 p -98.19 126.18 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 168.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -81.39 144.23 31.58 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -46.07 -60.96 1.97 Allowed 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -169.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -52.24 -42.16 63.38 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.238 0.542 . . . . 0.0 110.577 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -70.99 -34.57 71.51 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.595 0.758 . . . . 0.0 110.522 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.12 -47.36 83.53 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 169.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.5 mm -57.88 -51.93 64.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 85.9 m -49.15 -49.02 44.3 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 121.612 -0.68 . . . . 0.0 111.468 174.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.71 -45.21 92.83 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 119.441 -0.314 . . . . 0.0 110.322 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 78.6 mt -58.59 -35.37 72.32 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.914 0.779 . . . . 0.0 110.935 173.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.44 -50.6 63.65 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 169.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.39 -41.15 79.71 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.796 -0.826 . . . . 0.0 110.777 174.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.0 tp -61.62 -44.98 95.97 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.816 0.846 . . . . 0.0 110.059 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.55 -50.75 67.16 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.584 0.753 . . . . 0.0 110.114 172.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 10.6 tpt -55.88 -45.88 78.45 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 60.6 mt -64.83 -45.36 95.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 C-N-CA 124.414 1.085 . . . . 0.0 110.403 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -53.83 -41.99 67.99 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.28 0.491 . . . . 0.0 109.85 175.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 9.7 t30 71.21 -60.47 0.51 Allowed 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 125.675 1.59 . . . . 0.0 113.295 168.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -50.1 -44.23 51.95 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.604 0.762 . . . . 0.0 109.86 176.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.23 -43.25 10.18 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.516 1.126 . . . . 0.0 112.208 173.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 26.2 mt -61.91 -40.41 95.37 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 123.617 0.767 . . . . 0.0 110.481 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -71.88 -42.88 66.28 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.415 -1.769 . . . . 0.0 110.325 174.566 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.415 0 CA-C-O 117.504 -1.236 . . . . 0.0 111.54 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -39.62 -53.96 2.1 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 124.34 3.36 . . . . 0.0 115.206 172.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.9 tp -68.1 -50.27 55.99 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 117.956 -1.498 . . . . 0.0 110.493 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -51.48 -47.24 63.26 Favored 'General case' 0 CA--C 1.527 0.071 0 C-N-CA 123.64 0.776 . . . . 0.0 110.917 -176.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -64.89 -38.6 91.5 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 122.05 -0.406 . . . . 0.0 111.067 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.43 -54.45 36.35 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.753 -0.592 . . . . 0.0 111.234 178.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.4 pt -57.8 -42.92 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.11 -47.06 8.16 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 125.339 1.447 . . . . 0.0 112.36 169.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.59 -58.53 7.64 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.302 1.041 . . . . 0.0 109.833 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -53.77 -46.77 71.07 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 123.352 0.661 . . . . 0.0 110.189 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.424 HD11 ' HB1' ' B' ' 81' ' ' ALA . 43.6 mt -63.2 -48.82 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 122.855 0.462 . . . . 0.0 109.774 -176.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.8 -51.72 57.41 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.4 mt -51.33 -49.99 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 117.148 0.474 . . . . 0.0 109.782 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -58.04 -61.16 2.75 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.136 0.493 . . . . 0.0 110.522 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -65.91 -29.85 70.34 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -169.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -53.7 -44.18 69.57 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 171.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -78.61 -39.67 36.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 118.569 -0.729 . . . . 0.0 111.505 179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 m -52.55 -33.92 47.79 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.593 1.088 . . . . 0.0 111.577 169.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.196 0 C-N-CA 124.14 0.876 . . . . 0.0 112.43 171.356 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 . . . . . 0 CA--C 1.536 0.41 0 CA-C-O 122.115 0.96 . . . . 0.0 112.796 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 p -145.19 163.53 34.11 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 127.552 2.341 . . . . 0.0 106.637 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 tt -147.04 124.58 11.72 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -178.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.2 t -79.69 179.21 7.64 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -172.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -67.9 -69.98 0.29 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.318 1.047 . . . . 0.0 110.948 -169.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -62.96 -33.32 75.12 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.479 -0.763 . . . . 0.0 109.797 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -54.73 -47.73 73.42 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.796 0.839 . . . . 0.0 110.183 173.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.468 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.9 tm? -58.42 -52.97 63.39 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.15 0.58 . . . . 0.0 110.355 175.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.2 ptmm? -62.0 -31.03 71.37 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 117.214 -1.794 . . . . 0.0 111.254 -177.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.07 -51.6 68.95 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.864 0.466 . . . . 0.0 110.133 170.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -46.07 -55.31 7.11 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.662 0.785 . . . . 0.0 109.198 173.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.8 mt -59.32 -46.89 92.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 122.583 0.353 . . . . 0.0 111.397 -177.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -60.8 -40.1 91.42 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.612 -0.68 . . . . 0.0 111.53 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -69.47 -53.02 21.27 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.141 0.882 . . . . 0.0 111.685 176.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -80.62 -45.32 17.48 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -168.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.0 mt . . . . . 0 CA--C 1.528 0.131 0 C-N-CA 123.272 0.629 . . . . 0.0 110.779 -177.829 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 t70 . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.18 -47.54 54.49 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.325 0.65 . . . . 0.0 111.221 173.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -64.94 -41.87 95.13 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.4 mm -56.22 -48.64 79.11 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-O 118.944 -0.551 . . . . 0.0 110.401 175.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.3 m -70.04 -33.0 53.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 119.588 1.086 . . . . 0.0 112.143 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -59.52 -52.18 66.69 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.014 0.824 . . . . 0.0 109.964 170.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tt -55.11 -45.5 75.49 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.034 0.934 . . . . 0.0 110.849 176.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.8 ttp -56.15 -53.01 62.26 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.674 1.19 . . . . 0.0 108.763 177.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -51.65 -50.61 60.0 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -61.5 -29.65 70.12 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -178.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mt -71.33 -59.9 2.52 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.487 0.715 . . . . 0.0 110.578 171.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -65.27 -34.09 77.52 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.523 -0.736 . . . . 0.0 112.838 -173.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.3 ttp85 -44.22 -44.73 8.07 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 125.821 1.648 . . . . 0.0 111.047 -176.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -52.95 -31.14 38.71 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.725 0.81 . . . . 0.0 112.334 -175.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -135.28 50.4 2.14 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 168.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.2 p30 45.89 -85.47 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 127.407 2.283 . . . . 0.0 114.392 176.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -76.34 -36.98 57.95 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.045 0.938 . . . . 0.0 111.452 -170.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -128.33 154.06 46.35 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 124.452 1.101 . . . . 0.0 108.949 -176.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 p -90.95 130.29 40.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 166.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -82.56 150.82 26.7 Favored 'General case' 0 N--CA 1.458 -0.052 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -39.79 -55.19 2.0 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.854 1.262 . . . . 0.0 113.771 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -61.9 -41.66 98.17 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 121.183 -0.948 . . . . 0.0 110.689 -177.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -66.69 -36.65 83.0 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 122.318 -0.239 . . . . 0.0 110.65 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.72 -50.64 72.54 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.803 0.441 . . . . 0.0 110.233 170.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.6 mm -57.09 -53.22 46.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-N 118.64 0.654 . . . . 0.0 110.124 177.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.6 m -51.13 -48.12 61.86 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.749 -0.595 . . . . 0.0 111.296 176.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -60.59 -45.42 94.03 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.236 -0.29 . . . . 0.0 110.435 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.0 mt -58.41 -35.41 72.01 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.81 0.732 . . . . 0.0 110.576 174.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.1 -51.84 54.99 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 169.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.58 -46.31 77.27 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.732 -0.863 . . . . 0.0 110.844 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.5 tp -57.89 -45.49 86.34 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.279 1.031 . . . . 0.0 110.409 178.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.9 -45.49 78.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 121.979 -0.451 . . . . 0.0 110.011 172.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.1 ttp -60.11 -39.58 86.69 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 119.165 -0.445 . . . . 0.0 111.581 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 34.6 mm -55.22 -48.83 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 119.18 0.9 . . . . 0.0 108.743 169.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -71.92 39.44 0.07 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.397 1.079 . . . . 0.0 112.721 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -35.72 -42.68 0.26 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 128.329 2.652 . . . . 0.0 113.991 177.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -49.46 -41.43 40.28 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.413 0.685 . . . . 0.0 112.107 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.24 77.34 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.455 0.702 . . . . 0.0 111.655 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 N--CA 1.452 -0.348 0 C-N-CA 123.568 0.747 . . . . 0.0 109.244 -174.858 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.99 -46.47 13.12 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.992 1.795 . . . . 0.0 112.76 -174.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 42.3 tp -77.82 -44.98 25.72 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -50.66 -47.65 58.57 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.891 0.876 . . . . 0.0 110.767 -177.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -62.24 -39.04 91.52 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.145 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.1 -52.21 37.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.092 -0.38 . . . . 0.0 110.98 -177.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 37.1 pt -57.55 -47.19 85.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 174.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.49 -46.37 5.64 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.931 1.253 . . . . 0.0 112.219 171.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.456 ' CD1' HD12 ' B' ' 15' ' ' ILE . 0.3 OUTLIER -54.91 -59.38 4.82 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.061 0.945 . . . . 0.0 110.541 177.723 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mp -54.23 -46.22 72.49 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.397 0.679 . . . . 0.0 110.625 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.98 -48.31 89.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -176.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.78 -56.64 24.07 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.456 HD12 ' CD1' ' B' ' 11' ' ' LEU . 5.0 mt -49.43 -44.53 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 123.686 0.795 . . . . 0.0 110.869 177.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -62.08 -62.5 1.74 Allowed 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.2 0.524 . . . . 0.0 111.064 177.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -67.29 -28.75 68.28 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 122.065 -0.397 . . . . 0.0 112.006 -169.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -49.36 -45.79 46.21 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 124.914 1.286 . . . . 0.0 109.263 168.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -76.98 -54.08 7.01 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.689 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.4 m -46.36 -48.27 18.5 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.722 1.146 . . . . 0.0 111.948 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 C-N-CA 124.452 1.025 . . . . 0.0 113.108 178.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 . . . . . 0 CA--C 1.537 0.474 0 CA-C-O 121.629 0.728 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.74 158.04 43.82 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 127.204 2.201 . . . . 0.0 107.556 -169.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 89.2 mt -135.27 136.69 41.87 Favored 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 170.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.0 m -78.3 154.1 31.18 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 170.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -61.42 -42.15 98.3 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 120.891 -1.13 . . . . 0.0 113.622 -169.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -68.79 -39.3 80.23 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.019 -1.051 . . . . 0.0 111.093 178.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -56.39 -48.12 77.56 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.579 HD13 ' C ' ' B' ' 34' ' ' LEU . 0.7 OUTLIER -55.83 -44.41 77.91 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.773 0.829 . . . . 0.0 110.049 172.111 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 67.5 tttt -53.65 -46.96 70.74 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 120.635 -1.291 . . . . 0.0 109.876 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.82 -36.85 82.37 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.544 0.738 . . . . 0.0 111.701 177.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.8 -56.71 17.28 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 169.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 51.9 mt -57.22 -47.57 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 119.235 -0.412 . . . . 0.0 110.521 -176.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -57.56 -39.07 75.86 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.602 0.637 . . . . 0.0 111.296 -174.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -81.36 -56.2 4.21 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.203 0.525 . . . . 0.0 111.277 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -80.48 -26.0 38.49 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.469 1.508 . . . . 0.0 114.132 -167.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 59.7 mt . . . . . 0 C--N 1.331 -0.23 0 N-CA-C 105.104 -2.184 . . . . 0.0 105.104 168.55 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 . . . . . 0 N--CA 1.456 -0.148 0 N-CA-C 110.762 -0.088 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.34 -46.54 62.69 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.034 0.933 . . . . 0.0 111.041 175.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -66.54 -43.55 84.82 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 41.4 mm -55.19 -49.07 75.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 118.654 -0.688 . . . . 0.0 110.197 174.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.276 16.7 m -70.4 -33.2 52.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 120.024 1.284 . . . . 0.0 112.945 -177.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -57.76 -50.55 72.88 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.386 0.994 . . . . 0.0 109.144 169.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tt -56.6 -42.05 78.08 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.812 -0.555 . . . . 0.0 111.277 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.445 ' HG2' HD12 ' B' ' 34' ' ' LEU . 60.9 mtp -58.94 -48.5 81.27 Favored 'General case' 0 C--O 1.221 -0.432 0 O-C-N 121.48 -0.763 . . . . 0.0 110.067 175.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -52.83 -50.57 63.45 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 175.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -57.39 -43.04 83.34 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 122.82 0.448 . . . . 0.0 112.043 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.32 -57.29 10.85 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.564 0.62 . . . . 0.0 110.749 173.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.39 -9.84 51.04 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.688 1.195 . . . . 0.0 113.038 -172.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 21.4 mmt-85 . . . . . 0 N--CA 1.467 0.387 0 C-N-CA 124.184 0.994 . . . . 0.0 110.169 166.236 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 . . . . . 0 C--O 1.233 0.207 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 t -101.85 145.85 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 128.091 2.556 . . . . 0.0 106.848 172.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -111.35 146.35 37.26 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.812 0.845 . . . . 0.0 108.79 171.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -39.83 -57.04 1.65 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.631 1.572 . . . . 0.0 114.374 -171.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -57.78 -39.3 77.16 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.313 -0.867 . . . . 0.0 111.333 -178.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -74.7 -35.48 62.72 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.418 0.687 . . . . 0.0 109.246 -177.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -55.96 -52.9 62.54 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 169.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 25.1 mm -55.94 -52.49 48.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 89.2 m -52.96 -46.34 68.15 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.745 0.418 . . . . 0.0 111.283 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -62.96 -43.85 97.65 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 121.962 -0.461 . . . . 0.0 110.501 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 73.7 mt -57.03 -32.04 65.76 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.211 0.914 . . . . 0.0 110.362 172.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.98 -51.69 57.78 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 168.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.48 -46.9 73.49 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.202 -1.175 . . . . 0.0 111.149 174.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 6.9 tp -58.42 -43.18 88.57 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.282 -0.886 . . . . 0.0 110.235 177.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.424 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -58.55 -35.4 72.27 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 121.688 -0.632 . . . . 0.0 111.199 172.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 90.0 mtp -66.03 -41.28 91.11 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.89 0.768 . . . . 0.0 111.602 170.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 45.1 mm -55.1 -39.27 49.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 118.518 0.599 . . . . 0.0 109.734 171.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -72.4 57.96 0.39 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 122.424 1.107 . . . . 0.0 109.853 170.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -47.6 -35.8 9.79 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 127.345 2.258 . . . . 0.0 111.473 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.8 mp0 -57.84 -45.64 85.94 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.448 0.699 . . . . 0.0 109.652 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.57 -41.26 79.97 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 122.976 0.511 . . . . 0.0 109.989 177.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 37.1 mt -53.09 -47.53 68.49 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.749 0.704 . . . . 0.0 110.996 173.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -64.12 -45.4 88.73 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.844 -1.531 . . . . 0.0 111.64 175.961 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -60.57 -33.92 93.07 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.223 1.948 . . . . 0.0 113.6 -176.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.0 tp -81.8 -45.86 14.99 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 172.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -50.11 -46.92 54.12 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 124.091 0.956 . . . . 0.0 110.778 -175.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -55.02 -42.43 72.58 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.614 0.245 . . . . 0.0 111.441 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.43 -52.78 19.8 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.929 -0.482 . . . . 0.0 110.332 -173.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.8 pt -57.35 -42.31 80.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.86 -46.95 19.46 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 125.329 1.442 . . . . 0.0 112.162 171.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.67 -60.2 3.78 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.878 0.871 . . . . 0.0 110.259 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mp -53.26 -45.2 68.71 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.644 0.777 . . . . 0.0 110.299 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.536 HD11 ' HB1' ' B' ' 81' ' ' ALA . 50.2 mt -63.5 -48.35 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 122.705 0.402 . . . . 0.0 110.186 -177.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.72 -52.71 51.52 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 179.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.6 mt -50.86 -53.18 14.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -56.71 -57.69 11.33 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.257 0.551 . . . . 0.0 111.649 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -78.38 -16.83 57.25 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -168.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -56.9 -54.83 42.1 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 168.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -70.9 -42.24 70.2 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.742 -178.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m -65.27 -32.55 74.28 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.386 -0.821 . . . . 0.0 110.953 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.785 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 170.706 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.6 t -155.71 140.46 17.09 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 105.176 -2.157 . . . . 0.0 105.176 -176.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.3 mt -98.65 129.54 45.14 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -178.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.6 t -78.35 172.82 13.05 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.36 0.6 . . . . 0.0 109.514 171.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -56.99 -63.12 1.31 Allowed 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 125.057 1.343 . . . . 0.0 112.179 -168.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -37.6 85.73 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -178.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -61.42 -45.83 92.67 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.594 -0.692 . . . . 0.0 110.686 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.508 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.6 tm? -57.66 -50.75 72.15 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -49.6 -47.36 49.58 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.794 -0.566 . . . . 0.0 110.329 175.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -58.28 -49.47 77.03 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.836 0.854 . . . . 0.0 110.707 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 tt -49.38 -51.34 35.5 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.444 0.698 . . . . 0.0 109.425 173.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.7 mt -63.77 -45.06 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-O 118.631 -0.7 . . . . 0.0 111.777 -178.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -56.71 -40.92 76.5 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.937 1.244 . . . . 0.0 110.595 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -50.34 42.68 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.734 -0.604 . . . . 0.0 111.274 176.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -66.74 -59.28 3.71 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.564 1.146 . . . . 0.0 110.67 -173.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.2 mt . . . . . 0 N--CA 1.453 -0.315 0 C-N-CA 126.94 2.096 . . . . 0.0 107.826 -176.624 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 . . . . . 0 C--O 1.226 -0.156 0 CA-C-O 118.793 -0.623 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.47 -50.96 64.21 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.472 0.578 . . . . 0.0 111.201 171.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -61.1 -44.17 97.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.9 mm -57.88 -45.83 87.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 118.597 -0.716 . . . . 0.0 111.007 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.1 m -68.25 -34.85 68.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 120.161 1.346 . . . . 0.0 111.482 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -58.66 -52.25 66.49 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.086 0.857 . . . . 0.0 110.045 171.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.42 -43.99 75.83 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.53 0.732 . . . . 0.0 110.821 176.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -58.84 -43.4 90.72 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.63 0.772 . . . . 0.0 109.926 176.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.03 -47.63 85.06 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 175.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -54.45 -47.58 72.74 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.793 -0.567 . . . . 0.0 111.098 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mt -56.12 -57.2 13.19 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.504 0.721 . . . . 0.0 110.632 174.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.7 p30 -66.7 -27.35 67.57 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 121.156 -0.965 . . . . 0.0 112.98 -172.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -45.45 -41.59 9.57 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.527 1.131 . . . . 0.0 111.609 -177.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -36.79 -40.5 0.27 Allowed 'General case' 0 C--N 1.344 0.352 0 C-N-CA 125.391 1.476 . . . . 0.0 113.094 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -150.82 59.13 0.93 Allowed 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 173.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 p30 44.44 -80.4 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.627 1.971 . . . . 0.0 114.753 172.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -75.52 -34.18 60.77 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.173 0.989 . . . . 0.0 113.409 -174.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -133.41 151.61 51.83 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.3 0.955 . . . . 0.0 113.251 -169.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.0 t -93.7 100.89 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 126.86 2.064 . . . . 0.0 109.187 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -79.56 148.91 31.57 Favored 'General case' 0 C--N 1.333 -0.115 0 O-C-N 121.923 -0.486 . . . . 0.0 110.759 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -43.46 -62.4 1.09 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -169.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -59.6 -30.95 69.04 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.419 -0.801 . . . . 0.0 111.255 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -75.4 -37.42 60.52 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.876 0.47 . . . . 0.0 109.83 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -55.79 -51.96 65.64 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 168.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.5 mm -55.91 -52.52 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.1 m -54.78 -46.04 74.35 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.257 0.623 . . . . 0.0 111.149 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -61.88 -44.19 97.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 121.939 -0.476 . . . . 0.0 110.425 177.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.7 mt -56.5 -35.39 67.95 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.905 0.775 . . . . 0.0 110.446 172.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.74 -52.52 50.15 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 168.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.76 -44.56 73.74 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.318 -1.107 . . . . 0.0 111.188 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.1 tp -58.61 -46.54 86.81 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.12 0.968 . . . . 0.0 110.027 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.468 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -57.74 -46.18 84.82 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.627 0.771 . . . . 0.0 110.973 175.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 35.6 tpp -60.03 -44.61 94.5 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.173 -0.33 . . . . 0.0 110.871 176.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.5 mt -59.08 -41.58 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.708 0.803 . . . . 0.0 109.443 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -72.52 56.99 0.39 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.167 0.587 . . . . 0.0 109.873 169.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -62.34 -26.48 68.47 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 121.086 -1.009 . . . . 0.0 112.313 -169.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -56.1 -49.32 74.19 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 122.966 0.506 . . . . 0.0 110.159 169.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.05 -43.62 98.14 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.326 0 O-C-N 123.424 0.452 . . . . 0.0 110.376 177.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -59.35 -34.14 97.68 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.067 1.844 . . . . 0.0 113.912 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 65.4 tp -81.75 -45.37 15.75 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.437 0.562 . . . . 0.0 109.986 172.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -49.85 -46.26 51.19 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 123.738 0.815 . . . . 0.0 110.61 -175.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -55.61 -42.59 75.07 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 120.669 0.271 . . . . 0.0 111.343 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.04 -53.21 15.52 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 121.865 -0.522 . . . . 0.0 110.476 -173.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.6 pt -56.82 -42.45 77.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 119.399 -0.92 . . . . 0.0 108.979 173.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.33 -43.12 26.41 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 125.531 1.539 . . . . 0.0 112.47 173.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -62.36 1.9 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.121 0.96 . . . . 0.0 110.039 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -51.22 -47.14 62.39 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.99 0.916 . . . . 0.0 110.257 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.468 HD11 ' HB1' ' A' ' 81' ' ' ALA . 62.4 mt -60.96 -51.93 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 123.018 0.527 . . . . 0.0 109.925 -177.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.28 -55.08 28.31 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 10.2 mt -48.45 -54.99 3.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -59.85 -53.52 56.9 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.232 0.539 . . . . 0.0 111.982 -175.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -74.73 -29.45 61.18 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 121.973 -0.454 . . . . 0.0 111.686 -169.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -57.08 -52.83 63.73 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 170.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -59.67 -46.87 87.75 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 119.355 -0.355 . . . . 0.0 111.14 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 18.6 m -51.21 -45.1 61.78 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.698 0.761 . . . . 0.0 111.366 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.925 0 C-N-CA 123.942 0.782 . . . . 0.0 113.109 178.38 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 . . . . . 0 CA--C 1.536 0.442 0 CA-C-O 121.506 0.669 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 29.2 m -154.84 114.02 3.66 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.77 1.228 . . . . 0.0 109.814 -173.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 29.6 mt -79.94 166.0 22.07 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 34.0 p -100.15 152.27 20.45 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 167.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -51.69 -43.45 62.78 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -172.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -73.0 -33.1 65.58 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.439 -0.788 . . . . 0.0 110.858 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.05 -39.68 93.67 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.227 -0.92 . . . . 0.0 109.619 172.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.465 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.0 tm? -56.32 -47.56 78.51 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 170.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -52.8 -48.46 66.87 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 120.775 -1.203 . . . . 0.0 111.069 172.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -58.45 -36.01 73.03 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 122.737 0.415 . . . . 0.0 111.793 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.25 -56.42 21.8 Favored 'General case' 0 N--CA 1.458 -0.053 0 C-N-CA 123.953 0.901 . . . . 0.0 109.383 170.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 51.4 mt -56.21 -50.04 73.12 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 C-N-CA 122.639 0.376 . . . . 0.0 111.155 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -56.18 -39.3 72.17 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.629 0.65 . . . . 0.0 110.712 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -72.46 -53.91 10.8 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 121.92 -0.488 . . . . 0.0 111.477 177.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -78.38 -49.84 12.81 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 122.199 -0.313 . . . . 0.0 111.222 -169.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.0 mt . . . . . 0 CA--C 1.532 0.287 0 C-N-CA 126.767 2.027 . . . . 0.0 108.528 -176.474 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 . . . . . 0 CA--C 1.533 0.301 0 CA-C-O 119.553 -0.261 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.47 -48.48 77.0 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.392 0.615 . . . . 0.0 111.103 172.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -62.1 -42.09 98.87 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 24.1 mm -56.8 -45.27 83.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 CA-C-O 117.689 -1.148 . . . . 0.0 110.926 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.267 7.1 m -67.97 -33.73 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 121.008 1.731 . . . . 0.0 112.656 178.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -59.93 -50.43 73.81 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.368 0.986 . . . . 0.0 110.221 170.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -60.95 -41.24 95.93 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.652 0.781 . . . . 0.0 110.889 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 24.6 ttp -57.76 -53.09 62.16 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 125.192 1.397 . . . . 0.0 108.458 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -50.84 -50.07 57.49 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.986 0.514 . . . . 0.0 109.973 175.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -58.32 -45.38 88.16 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.965 -0.459 . . . . 0.0 112.176 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.1 mt -60.19 -52.59 64.65 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.499 0.72 . . . . 0.0 110.903 175.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.33 -19.59 46.18 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -169.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 28.9 ttm105 . . . . . 0 CA--C 1.528 0.118 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.077 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 39.9 t -123.86 103.93 13.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -77.72 150.82 34.38 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -44.82 -49.52 10.74 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -56.2 -47.94 77.39 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.796 -0.565 . . . . 0.0 110.161 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -62.98 -43.84 97.68 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.823 0.849 . . . . 0.0 109.553 -176.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -53.16 -55.77 21.55 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.813 0.845 . . . . 0.0 110.658 172.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.1 mm -57.97 -54.58 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 118.673 0.67 . . . . 0.0 110.353 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 96.2 m -51.85 -45.62 64.1 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.728 0.811 . . . . 0.0 111.57 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -64.85 -45.18 87.17 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 122.076 -0.39 . . . . 0.0 110.381 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 76.7 mt -57.21 -34.08 68.17 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.503 -0.748 . . . . 0.0 110.236 173.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.35 -50.58 63.64 Favored Glycine 0 CA--C 1.532 1.136 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 169.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.31 -49.93 68.53 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.804 -0.821 . . . . 0.0 110.639 173.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.7 tp -58.76 -42.01 87.9 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.609 0.764 . . . . 0.0 110.931 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.536 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -57.54 -44.47 85.18 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 121.757 -0.59 . . . . 0.0 110.266 173.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 20.8 ttt -64.31 -39.91 94.86 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.307 -0.246 . . . . 0.0 111.29 176.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 11.2 mm -55.65 -45.83 79.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -73.29 55.7 0.46 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.315 0.646 . . . . 0.0 110.57 172.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -49.95 -39.53 40.85 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.241 1.416 . . . . 0.0 112.306 -173.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -40.99 -45.2 2.54 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.918 1.287 . . . . 0.0 112.293 172.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.9 -34.28 67.76 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.391 0.677 . . . . 0.0 111.596 -178.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 60.9 mt -57.98 -26.72 62.7 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.092 0.557 . . . . 0.0 111.302 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -73.48 -17.44 61.23 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.558 -0.714 . . . . 0.0 110.809 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 117.168 -1.907 . . . . 0.0 111.166 176.517 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 117.732 -1.128 . . . . 0.0 113.663 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -51.68 -48.4 21.61 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.356 2.704 . . . . 0.0 112.619 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.4 tp -70.78 -45.78 64.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.626 -0.671 . . . . 0.0 109.392 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -53.13 -49.59 66.25 Favored 'General case' 0 N--CA 1.458 -0.063 0 C-N-CA 122.79 0.436 . . . . 0.0 110.479 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -62.04 -40.18 94.84 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.173 -0.329 . . . . 0.0 110.876 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.81 -55.66 27.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.51 0.596 . . . . 0.0 111.476 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 pt -57.79 -43.08 83.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.81 -41.65 20.52 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.56 1.552 . . . . 0.0 112.873 170.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.39 -58.91 5.94 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.222 1.011 . . . . 0.0 109.715 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -50.38 -48.41 55.89 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.802 0.841 . . . . 0.0 109.362 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.45 HD11 ' HB1' ' B' ' 81' ' ' ALA . 68.4 mt -58.23 -52.81 54.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 C-N-CA 122.671 0.389 . . . . 0.0 110.346 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.8 -54.75 29.12 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.1 mt -51.56 -56.37 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -53.14 -53.18 54.32 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.924 0.393 . . . . 0.0 111.452 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -72.14 -28.16 63.07 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 118.424 -0.798 . . . . 0.0 112.743 -172.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -59.03 -55.02 40.49 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.436 1.016 . . . . 0.0 108.919 169.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -61.57 -46.89 87.96 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.761 -178.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.4 m -60.02 -52.15 66.59 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.772 -0.58 . . . . 0.0 109.751 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.722 0 C-N-CA 124.642 1.115 . . . . 0.0 111.805 177.756 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.0 m170 . . . . . 0 CA--C 1.538 0.486 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.6 t -155.79 143.72 19.79 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.564 -0.71 . . . . 0.0 109.962 -178.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.7 mt -105.49 139.27 40.36 Favored 'General case' 0 CA--C 1.522 -0.122 0 C-N-CA 125.071 1.348 . . . . 0.0 108.287 169.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.4 p -79.68 155.64 27.94 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.559 0.618 . . . . 0.0 109.963 169.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -48.8 -50.29 34.95 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.772 1.229 . . . . 0.0 113.557 -171.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -76.55 -28.28 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.92 -0.487 . . . . 0.0 110.38 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -66.13 -40.37 90.6 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 173.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.506 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.1 tm? -56.23 -51.18 69.01 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 170.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -53.08 -45.83 68.35 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.083 -1.011 . . . . 0.0 110.672 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -55.3 -48.34 74.24 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.021 0.528 . . . . 0.0 110.537 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 tt -50.37 -55.1 17.1 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 124.155 0.982 . . . . 0.0 109.291 176.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.98 -51.69 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.278 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -63.94 -25.15 68.01 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 118.633 -0.699 . . . . 0.0 112.277 -175.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.86 -57.08 3.71 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 119.387 0.994 . . . . 0.0 110.803 170.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -65.3 -65.09 0.72 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.979 0.895 . . . . 0.0 109.185 -174.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 C--N 1.33 -0.265 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 -178.814 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t70 . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.39 -50.33 40.77 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.47 0.577 . . . . 0.0 111.98 170.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -64.31 -41.58 96.77 Favored 'General case' 0 C--O 1.231 0.119 0 O-C-N 121.25 -0.906 . . . . 0.0 109.407 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.8 mm -58.35 -38.21 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 118.357 -0.83 . . . . 0.0 110.854 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.251 7.9 m -68.85 -37.59 77.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 120.118 1.327 . . . . 0.0 112.529 176.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -60.65 -51.53 69.0 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.36 0.982 . . . . 0.0 109.595 172.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 tt -53.42 -45.43 69.38 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.289 0.636 . . . . 0.0 111.129 175.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -62.15 -42.96 99.76 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.114 0.965 . . . . 0.0 109.641 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -56.79 -47.65 79.69 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -61.21 -43.27 99.15 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.924 -0.485 . . . . 0.0 111.631 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mt -60.5 -59.77 4.88 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.079 0.552 . . . . 0.0 110.434 173.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -69.82 -21.77 63.36 Favored 'General case' 0 N--CA 1.46 0.074 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -169.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.9 ttp-105 -29.92 -55.08 0.17 Allowed 'General case' 0 C--N 1.342 0.242 0 C-N-CA 126.165 1.786 . . . . 0.0 110.456 169.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -32.72 -51.21 0.28 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 126.831 2.052 . . . . 0.0 114.57 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -135.75 54.86 1.89 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 173.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.267 4.3 p30 52.81 -64.39 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 128.241 2.616 . . . . 0.0 115.998 176.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -120.93 1.66 10.44 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.583 1.953 . . . . 0.0 111.543 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -129.99 150.14 51.4 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.617 0.767 . . . . 0.0 110.182 176.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.2 t -107.05 123.83 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 174.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -79.3 154.41 29.13 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 120.415 1.461 . . . . 0.0 109.822 170.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -43.32 -53.55 5.18 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 174.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -66.3 -36.14 82.19 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 120.969 -1.082 . . . . 0.0 110.897 -175.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -59.46 -50.15 75.06 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 171.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -52.86 -52.22 58.16 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.579 0.352 . . . . 0.0 110.283 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.5 mm -57.12 -54.39 30.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 118.082 0.401 . . . . 0.0 110.336 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.2 m -48.15 -51.63 24.11 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.597 0.759 . . . . 0.0 111.081 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -64.76 -40.44 95.29 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 123.818 0.847 . . . . 0.0 110.428 -178.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.5 mt -57.95 -35.37 71.04 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.667 1.122 . . . . 0.0 110.168 171.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.75 -51.36 58.47 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 168.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.76 -42.2 71.38 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.947 -0.737 . . . . 0.0 110.944 175.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.9 tp -62.13 -44.9 95.61 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.793 1.237 . . . . 0.0 109.774 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.04 -49.2 72.18 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.189 0.596 . . . . 0.0 110.025 172.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -43.74 88.75 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 122.826 0.451 . . . . 0.0 111.014 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.1 mt -66.03 -44.28 92.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 124.644 1.178 . . . . 0.0 110.419 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -53.88 -45.97 71.22 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 171.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 72.45 -57.25 0.63 Allowed 'General case' 0 C--O 1.228 -0.059 0 C-N-CA 125.841 1.656 . . . . 0.0 113.945 166.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -52.36 -40.73 62.36 Favored 'General case' 0 CA--C 1.529 0.163 0 O-C-N 121.824 -0.547 . . . . 0.0 109.61 173.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.09 -39.02 8.74 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.531 1.133 . . . . 0.0 112.526 173.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.0 mt . . . . . 0 CA--C 1.532 0.262 0 C-N-CA 123.092 0.557 . . . . 0.0 110.882 179.858 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -51.92 -44.72 43.31 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.529 2.153 . . . . 0.0 113.0 177.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.1 tp -65.78 -47.63 74.51 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 119.334 -0.946 . . . . 0.0 110.23 177.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -53.32 -50.0 65.89 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.7 0.8 . . . . 0.0 110.086 -177.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -61.14 -40.74 94.95 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.07 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.5 -55.16 34.14 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.664 0.665 . . . . 0.0 111.811 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 31.0 pt -57.71 -44.24 85.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.07 -45.39 9.62 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 125.324 1.44 . . . . 0.0 112.454 170.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.72 -59.74 4.75 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.227 1.011 . . . . 0.0 109.99 -178.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 mp -51.68 -49.52 62.22 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.661 0.784 . . . . 0.0 109.719 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.68 -47.68 88.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.307 -176.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.42 -56.67 23.16 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.8 mt -45.57 -50.37 3.49 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 C-N-CA 123.581 0.752 . . . . 0.0 109.317 177.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -59.48 -65.19 0.71 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.649 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -64.63 -32.95 74.84 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -168.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -56.85 -43.9 81.61 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 173.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -69.19 -47.71 64.14 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 118.301 -0.857 . . . . 0.0 111.423 175.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.5 m -47.7 -44.45 27.6 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 119.598 1.09 . . . . 0.0 111.778 177.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.286 0 C-N-CA 123.882 0.753 . . . . 0.0 113.853 177.068 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 . . . . . 0 CA--C 1.536 0.429 0 CA-C-O 121.001 0.429 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 80.5 p -142.31 159.27 42.56 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.079 1.351 . . . . 0.0 109.695 -176.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 89.8 mt -130.71 130.64 44.08 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 168.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.5 t -78.82 178.39 7.97 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.375 0.534 . . . . 0.0 110.042 173.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -63.6 -64.42 0.9 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.716 0.806 . . . . 0.0 111.142 -169.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -66.19 -33.26 75.36 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.651 -0.655 . . . . 0.0 110.531 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -55.86 -51.3 68.03 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.349 0.659 . . . . 0.0 109.635 173.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.486 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.3 tm? -58.21 -47.5 83.28 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.207 0.603 . . . . 0.0 109.529 174.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -56.79 -39.35 73.92 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 120.846 -1.159 . . . . 0.0 111.233 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -65.03 -34.27 78.03 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.726 0.81 . . . . 0.0 111.144 177.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 tt -58.97 -55.97 28.32 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 169.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 54.5 mt -57.2 -53.47 43.05 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 CA-C-O 119.499 -0.286 . . . . 0.0 110.598 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -52.43 -35.14 51.49 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 118.219 0.463 . . . . 0.0 111.686 -178.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -74.13 -61.15 1.96 Allowed 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 117.748 0.249 . . . . 0.0 110.801 175.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -68.87 -63.18 1.11 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 122.182 0.991 . . . . 0.0 109.244 -172.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 46.5 mt . . . . . 0 C--N 1.325 -0.458 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 178.663 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 14.1 t70 . . . . . 0 CA--C 1.53 0.208 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.54 -45.85 69.97 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.459 0.647 . . . . 0.0 110.89 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -64.92 -42.19 94.9 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 26.3 mm -56.65 -48.31 80.89 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 CA-C-O 117.888 -1.053 . . . . 0.0 111.078 174.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.257 7.2 m -67.77 -33.82 63.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 120.606 1.548 . . . . 0.0 112.177 -178.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -60.19 -49.47 77.48 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.123 0.874 . . . . 0.0 110.163 170.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.12 -41.43 88.2 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.89 0.876 . . . . 0.0 111.575 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 51.6 ttp -58.14 -53.9 52.99 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.978 1.311 . . . . 0.0 107.992 175.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -50.44 -51.71 44.37 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 123.645 0.59 . . . . 0.0 109.506 175.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -53.78 -51.55 63.07 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.771 0.714 . . . . 0.0 111.925 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.7 mt -53.96 -59.92 4.01 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.377 0.671 . . . . 0.0 110.609 177.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -67.49 -32.35 73.11 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -173.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 45.2 ttm105 . . . . . 0 C--N 1.34 0.159 0 C-N-CA 124.043 0.937 . . . . 0.0 110.911 -170.892 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 . . . . . 0 C--O 1.224 -0.266 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 10.6 p -103.63 129.4 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 166.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -84.59 154.8 22.38 Favored 'General case' 0 CA--C 1.526 0.044 0 O-C-N 121.99 -0.444 . . . . 0.0 109.878 175.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -40.77 -51.8 3.05 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.751 1.22 . . . . 0.0 114.072 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.0 tp60 -59.8 -45.56 91.92 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.193 -0.942 . . . . 0.0 110.436 -178.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.08 -40.24 94.38 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.688 0.795 . . . . 0.0 109.671 -178.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -55.01 -53.62 53.47 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.401 0.681 . . . . 0.0 110.331 172.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.0 mm -57.6 -53.04 49.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 118.257 0.48 . . . . 0.0 109.924 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 61.7 m -51.77 -47.16 64.29 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.911 -0.493 . . . . 0.0 111.499 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -61.72 -46.2 90.67 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 122.554 0.342 . . . . 0.0 110.217 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 79.1 mt -57.73 -36.33 71.9 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.605 0.639 . . . . 0.0 110.53 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.69 -51.26 57.87 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 169.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.15 -44.21 83.21 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.712 -0.876 . . . . 0.0 110.943 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 tp -57.4 -48.83 78.07 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.285 1.034 . . . . 0.0 109.81 177.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.45 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -58.82 -41.1 86.07 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.719 0.807 . . . . 0.0 111.016 176.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 21.5 ttt -66.36 -41.37 89.58 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.975 -0.453 . . . . 0.0 111.085 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 66.6 mt -59.96 -40.28 82.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.758 0.823 . . . . 0.0 109.203 173.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -71.42 55.39 0.23 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.513 0.725 . . . . 0.0 110.211 169.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -27.46 68.61 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 120.9 -1.125 . . . . 0.0 111.219 -170.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -56.76 -36.57 69.94 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.714 -0.616 . . . . 0.0 111.729 172.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.55 89.13 Favored 'General case' 0 CA--C 1.528 0.12 0 O-C-N 121.969 -0.457 . . . . 0.0 109.877 175.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 mt -60.13 -45.67 92.24 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.486 176.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.85 -46.64 89.78 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.311 0.645 . . . . 0.0 110.357 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.094 0 CA-C-O 116.95 -2.028 . . . . 0.0 111.109 -173.935 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.64 0 CA-C-O 117.52 -1.228 . . . . 0.0 112.818 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -53.63 -46.63 32.32 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.815 2.343 . . . . 0.0 113.048 179.306 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 tp -74.2 -45.82 45.9 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.217 178.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -53.05 -46.8 68.69 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 122.702 0.401 . . . . 0.0 110.708 -176.205 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -62.91 -37.24 86.19 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.068 -0.395 . . . . 0.0 111.306 177.791 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.67 -52.57 29.66 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.733 -0.604 . . . . 0.0 111.088 -178.712 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.6 pt -57.75 -42.8 82.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 173.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.58 -41.73 18.9 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 125.418 1.485 . . . . 0.0 112.628 170.274 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.15 -58.3 7.68 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.581 1.191 . . . . 0.0 109.661 178.769 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mp -51.51 -47.08 63.43 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 122.963 0.505 . . . . 0.0 110.018 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -60.28 -57.69 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 178.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.68 -50.06 26.33 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 124.814 1.197 . . . . 0.0 111.553 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.1 mt -54.0 -60.17 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 175.212 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.12 -51.73 56.0 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 121.411 0.624 . . . . 0.0 111.226 -176.147 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -73.24 -26.74 61.24 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 117.917 -1.04 . . . . 0.0 112.663 -172.263 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -70.8 -42.79 69.85 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.476 1.489 . . . . 0.0 110.069 171.51 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -64.65 -44.34 90.76 Favored 'General case' 0 C--N 1.34 0.172 0 O-C-N 121.758 -0.589 . . . . 0.0 111.256 177.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.5 t -55.63 -52.14 64.81 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 170.108 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.608 0 C-N-CA 126.369 1.938 . . . . 0.0 112.698 175.82 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 . . . . . 0 CA--C 1.537 0.481 0 CA-C-O 120.839 0.352 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.2 p -145.5 144.39 30.53 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 126.408 1.883 . . . . 0.0 107.846 -172.64 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 pp -143.09 150.35 39.39 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.108 0.413 . . . . 0.0 110.653 168.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.0 m -78.12 156.38 29.98 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -167.792 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -42.88 -54.89 3.96 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 126.531 1.933 . . . . 0.0 112.517 -178.791 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -70.84 -32.14 69.08 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.741 -0.599 . . . . 0.0 110.914 -178.164 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -64.8 -40.14 94.74 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.436 -0.79 . . . . 0.0 109.158 176.067 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.536 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.8 tm? -57.24 -50.59 72.4 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 170.358 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -54.12 -42.55 69.6 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 120.918 -1.114 . . . . 0.0 111.382 176.69 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -58.11 -50.1 74.65 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tt -49.47 -55.5 13.0 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 124.512 1.125 . . . . 0.0 110.178 176.61 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.16 -56.49 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -177.398 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -56.24 -34.14 66.06 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 118.998 -0.525 . . . . 0.0 111.576 -174.408 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -78.09 -59.52 2.75 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 118.565 0.62 . . . . 0.0 110.745 176.355 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -73.72 -49.51 25.33 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 123.19 0.596 . . . . 0.0 111.655 -168.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.333 -0.134 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 176.236 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 . . . . . 0 C--O 1.226 -0.178 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.31 -48.69 55.1 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.02 0.928 . . . . 0.0 111.496 173.137 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -60.41 -47.61 85.33 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 176.407 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.3 mm -56.3 -44.45 79.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.644 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.2 m -71.95 -34.42 50.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 120.18 1.355 . . . . 0.0 112.687 179.566 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.29 -51.51 69.66 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.551 1.069 . . . . 0.0 109.71 171.709 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 tt -57.68 -43.4 85.04 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.676 0.791 . . . . 0.0 110.927 176.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 45.7 ttp -57.11 -47.69 80.46 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 123.62 0.768 . . . . 0.0 108.957 175.64 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -55.08 -49.11 72.49 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 118.294 0.497 . . . . 0.0 109.87 175.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -54.41 -47.25 72.98 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 177.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.1 -61.9 2.27 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 122.992 0.517 . . . . 0.0 110.665 174.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -65.91 -12.43 54.63 Favored 'General case' 0 C--O 1.228 -0.072 0 C-N-CA 124.511 1.125 . . . . 0.0 113.628 -174.383 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -48.62 -28.22 3.34 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.859 0.754 . . . . 0.0 110.083 168.272 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -38.69 -53.49 1.64 Allowed 'General case' 0 C--N 1.342 0.271 0 C-N-CA 124.964 1.306 . . . . 0.0 112.468 167.749 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 pttp 179.11 153.53 0.41 Allowed 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 127.155 2.182 . . . . 0.0 109.055 178.27 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -53.0 142.86 18.61 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.404 0.682 . . . . 0.0 111.249 -177.399 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 72.41 -58.2 0.6 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.375 1.87 . . . . 0.0 113.357 170.165 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -108.13 118.8 37.7 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.752 1.221 . . . . 0.0 112.053 -169.657 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.0 t -79.79 123.75 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 168.22 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -86.57 146.52 26.32 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.026 0.53 . . . . 0.0 110.827 178.219 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -40.64 -54.63 2.54 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.057 1.743 . . . . 0.0 113.524 177.572 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -58.31 -46.69 85.68 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.75 -0.594 . . . . 0.0 110.089 -175.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -70.01 -35.23 74.21 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -176.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -53.54 -55.27 27.01 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 119.266 -0.397 . . . . 0.0 110.287 169.272 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 21.0 mm -57.69 -51.34 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 118.998 0.817 . . . . 0.0 110.28 178.785 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.8 m -49.3 -51.8 31.64 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.515 0.726 . . . . 0.0 110.205 179.33 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -63.77 -42.38 97.81 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 123.127 0.571 . . . . 0.0 110.786 -178.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.0 mt -56.19 -37.04 69.06 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.236 0.926 . . . . 0.0 110.516 173.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.421 ' CA ' HG21 ' B' ' 74' ' ' ILE . . . -55.22 -51.49 53.76 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.611 -0.595 . . . . 0.0 111.611 169.476 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.3 84.87 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.223 -0.575 . . . . 0.0 110.664 177.177 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 tp -56.13 -48.58 75.95 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.361 1.064 . . . . 0.0 109.927 178.55 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.425 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -57.5 -49.72 75.41 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.323 0.649 . . . . 0.0 110.828 176.143 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -55.68 -46.58 77.57 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.047 0.539 . . . . 0.0 110.642 178.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.3 mt -66.32 -45.55 89.35 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 125.144 1.377 . . . . 0.0 110.463 -177.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -51.64 -50.69 59.8 Favored 'General case' 0 C--N 1.34 0.17 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 172.548 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 71.46 -54.85 0.67 Allowed 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 125.871 1.668 . . . . 0.0 114.193 168.005 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -51.45 -36.8 45.7 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.432 1.093 . . . . 0.0 110.411 171.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.53 -44.68 62.71 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.42 0.688 . . . . 0.0 111.277 171.477 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.6 mt . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 174.924 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.445 -0.678 0 CA-C-O 116.938 -1.506 . . . . 0.0 114.054 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -55.63 -52.05 8.44 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.201 1.934 . . . . 0.0 112.962 -173.081 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -71.33 -45.26 63.41 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.772 178.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -53.11 -48.09 68.12 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 122.272 0.229 . . . . 0.0 111.312 -176.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -64.52 -37.87 89.06 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 118.111 0.414 . . . . 0.0 110.77 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.4 -54.03 34.63 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 121.779 -0.575 . . . . 0.0 111.419 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 30.1 pt -56.96 -43.41 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 175.099 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.22 -40.94 14.99 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 125.917 1.722 . . . . 0.0 113.095 171.013 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.411 ' CD1' HD12 ' B' ' 15' ' ' ILE . 0.4 OUTLIER -63.07 -60.73 3.05 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.55 1.175 . . . . 0.0 109.619 179.791 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -49.66 -48.92 49.08 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.78 0.832 . . . . 0.0 109.708 178.244 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.425 HD11 ' HB1' ' A' ' 81' ' ' ALA . 64.5 mt -57.97 -55.57 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 123.715 0.806 . . . . 0.0 110.075 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.21 -54.04 31.41 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -178.256 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.411 HD12 ' CD1' ' B' ' 11' ' ' LEU . 6.9 mt -51.26 -57.62 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 177.883 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -53.11 -60.15 3.65 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.459 0.647 . . . . 0.0 111.613 -176.715 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -26.15 65.56 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 118.74 -0.648 . . . . 0.0 111.596 -169.145 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -58.38 -55.55 33.59 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.31 0.959 . . . . 0.0 109.3 169.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -59.24 -48.97 79.65 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.48 -179.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.8 m -50.59 -50.96 52.54 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.378 0.99 . . . . 0.0 111.526 172.486 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.721 0 C-N-CA 124.897 1.237 . . . . 0.0 111.801 179.357 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 . . . . . 0 CA--C 1.536 0.421 0 CA-C-O 120.622 0.249 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 20.9 m -155.2 155.65 34.26 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.233 1.813 . . . . 0.0 106.568 -177.157 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.0 tt -150.83 134.03 16.12 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.084 0.954 . . . . 0.0 108.519 -168.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.2 t -78.73 175.73 10.17 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 122.198 0.999 . . . . 0.0 113.517 -172.123 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -66.59 -71.65 0.19 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 127.363 2.265 . . . . 0.0 111.753 -168.548 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -64.13 -28.79 70.0 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.489 -0.757 . . . . 0.0 109.788 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.14 -40.79 96.91 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 121.737 -0.602 . . . . 0.0 111.03 174.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.503 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.3 tm? -54.9 -48.42 73.07 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-N 119.049 0.84 . . . . 0.0 108.82 170.338 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -56.74 -41.59 77.8 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 119.387 -0.925 . . . . 0.0 111.165 177.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -56.94 -50.4 72.73 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.089 0.556 . . . . 0.0 110.627 174.486 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tt -48.88 -53.52 19.17 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 123.946 0.898 . . . . 0.0 109.26 174.694 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 50.3 mt -60.96 -57.49 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-O 119.127 -0.463 . . . . 0.0 110.35 -178.03 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -55.88 -40.07 72.44 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.979 0.809 . . . . 0.0 111.998 -176.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -80.99 -41.2 23.13 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.725 0.693 . . . . 0.0 112.287 -174.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -81.2 -58.68 2.95 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.36 0.527 . . . . 0.0 110.292 178.836 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 mm? . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -179.071 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 C--O 1.227 -0.127 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.02 -46.83 61.69 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.426 0.69 . . . . 0.0 111.197 175.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -66.0 -43.15 88.6 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.563 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 29.1 mm -57.36 -46.51 85.44 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-O 118.66 -0.686 . . . . 0.0 110.619 176.079 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.251 26.1 m -70.95 -32.74 49.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 119.89 1.223 . . . . 0.0 112.406 -179.093 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -59.32 -52.63 64.8 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.355 0.979 . . . . 0.0 109.481 169.608 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.81 -44.95 70.63 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.054 0.941 . . . . 0.0 111.153 176.453 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 54.2 ttp -58.66 -50.47 73.73 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 124.395 1.078 . . . . 0.0 108.985 177.014 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -54.0 -47.57 71.32 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.748 0.819 . . . . 0.0 110.155 177.734 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -58.01 -52.18 66.59 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 122.173 -0.329 . . . . 0.0 110.644 177.405 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -55.27 -51.43 66.67 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.18 0.592 . . . . 0.0 111.22 177.339 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -71.98 -28.98 63.78 Favored 'General case' 0 CA--C 1.529 0.147 0 O-C-N 121.36 -0.837 . . . . 0.0 112.94 -173.555 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.344 0.359 0 C-N-CA 124.365 1.066 . . . . 0.0 111.195 -178.273 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 N--CA 1.448 -0.563 0 CA-C-O 120.753 0.311 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 22.5 t -81.26 113.95 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 169.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -77.94 153.45 32.51 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.237 0.926 . . . . 0.0 109.764 175.41 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -50.15 -48.4 53.78 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 176.727 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -58.68 -48.57 80.63 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.553 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -54.89 -48.83 72.51 Favored 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.125 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -52.49 -54.76 28.17 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 119.308 -0.377 . . . . 0.0 110.915 177.591 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.421 HG21 ' CA ' ' A' ' 78' ' ' GLY . 20.2 mm -59.51 -51.18 75.72 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 118.885 0.766 . . . . 0.0 110.623 -179.594 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 32.1 m -52.61 -48.45 66.29 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.751 0.82 . . . . 0.0 110.0 -179.734 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -63.29 -43.01 99.11 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 123.966 0.906 . . . . 0.0 110.287 179.28 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 85.2 mt -58.38 -34.59 70.88 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.477 1.035 . . . . 0.0 110.468 173.589 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.46 -50.57 63.89 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 168.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.3 74.71 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.776 -0.838 . . . . 0.0 111.714 174.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.2 tp -64.23 -45.07 89.79 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.26 1.024 . . . . 0.0 109.479 178.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.23 -43.96 79.13 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.134 0.574 . . . . 0.0 110.253 171.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 41.7 ttm -61.71 -42.22 98.65 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 122.099 -0.376 . . . . 0.0 111.767 175.099 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 70.9 mt -58.35 -43.1 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 175.005 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -74.73 50.93 0.46 Allowed 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.72 -0.613 . . . . 0.0 109.979 169.386 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.54 -32.45 50.65 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 124.255 1.022 . . . . 0.0 112.618 -167.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -50.16 -42.56 51.14 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 122.73 0.412 . . . . 0.0 111.204 176.002 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.07 -33.19 64.79 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.247 0.619 . . . . 0.0 111.146 177.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 16.0 mt -74.29 6.79 3.29 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -179.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -93.97 0.14 55.88 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.691 0.678 . . . . 0.0 109.805 167.365 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 117.043 -1.976 . . . . 0.0 110.817 -175.821 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -59.28 -42.03 53.56 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 121.691 1.594 . . . . 0.0 113.176 -174.09 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.3 tp -81.01 -43.64 19.29 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 118.695 0.68 . . . . 0.0 110.077 176.379 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.06 -42.75 63.39 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.909 0.883 . . . . 0.0 111.21 -177.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -58.0 -43.69 86.76 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 119.338 0.972 . . . . 0.0 110.712 176.291 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.17 -54.99 16.09 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 122.324 -0.235 . . . . 0.0 110.617 -174.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.8 pt -59.81 -41.88 87.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 119.41 -0.916 . . . . 0.0 109.491 177.161 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.97 -41.5 37.21 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 125.198 1.38 . . . . 0.0 112.157 172.048 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.405 ' CD1' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -60.71 -60.26 4.09 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.546 1.139 . . . . 0.0 109.573 -179.882 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -51.42 -47.06 63.11 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.487 0.715 . . . . 0.0 110.118 178.306 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.482 HD11 ' HB1' ' B' ' 81' ' ' ALA . 70.9 mt -59.47 -52.29 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.394 0.677 . . . . 0.0 110.025 179.89 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.19 -53.32 45.63 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 -178.585 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.405 HD12 ' CD1' ' A' ' 11' ' ' LEU . 7.5 mt -49.4 -55.02 4.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 176.77 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -57.44 -57.24 13.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.998 -175.401 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -72.78 -28.38 62.56 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 118.811 -0.614 . . . . 0.0 111.468 -169.225 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -61.46 -51.45 68.65 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.926 0.785 . . . . 0.0 109.23 170.129 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -59.13 -38.95 80.87 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 178.376 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.1 m -62.56 -50.55 70.86 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.963 -0.46 . . . . 0.0 109.979 175.525 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.752 0 C-N-CA 124.718 1.152 . . . . 0.0 111.79 175.921 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 . . . . . 0 CA--C 1.536 0.424 0 CA-C-O 121.144 0.497 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.2 m -153.34 143.21 22.06 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.399 1.48 . . . . 0.0 107.642 -177.427 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.6 mt -112.49 157.56 20.96 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 125.758 1.623 . . . . 0.0 108.867 174.61 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.2 p -86.33 156.56 20.17 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 166.127 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -40.33 73.86 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.043 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -38.18 64.82 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.328 -0.858 . . . . 0.0 110.468 179.368 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -61.62 -43.56 98.64 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.109 0.868 . . . . 0.0 109.511 175.189 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.548 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -52.5 -49.22 65.19 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 169.331 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -53.69 -43.55 69.01 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.892 -1.13 . . . . 0.0 111.199 178.376 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -46.94 88.71 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.576 0.35 . . . . 0.0 110.895 175.659 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 tt -48.54 -52.96 20.11 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 123.604 0.762 . . . . 0.0 109.5 175.107 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.445 HG21 HD12 ' A' ' 53' ' ' ILE . 69.5 mt -57.4 -52.77 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 176.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.72 -39.53 68.32 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.292 0.496 . . . . 0.0 111.395 -174.787 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.11 -53.39 8.96 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 178.225 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -75.32 -64.31 1.09 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 122.243 1.021 . . . . 0.0 109.239 -174.33 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--N 1.326 -0.451 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -174.175 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 t70 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.08 -44.54 71.27 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.94 0.4 . . . . 0.0 110.139 176.377 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -62.22 -46.27 89.61 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.102 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.445 HD12 HG21 ' A' ' 38' ' ' ILE . 21.7 mm -51.95 -52.37 23.56 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.624 173.59 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.295 15.2 m -70.47 -32.37 49.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 120.241 1.382 . . . . 0.0 112.646 -173.855 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -56.82 -50.56 72.01 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.205 0.911 . . . . 0.0 109.074 169.093 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tt -60.36 -40.66 91.56 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.449 0.699 . . . . 0.0 112.069 178.253 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -36.62 77.26 Favored 'General case' 0 CA--C 1.523 -0.074 0 O-C-N 121.133 -0.979 . . . . 0.0 109.27 -178.51 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.93 -54.27 48.85 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 169.373 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -52.52 -46.87 66.88 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.013 0.37 . . . . 0.0 111.529 -178.188 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 mt -55.75 -66.16 0.47 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.042 0.537 . . . . 0.0 109.957 171.661 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 p30 -59.72 -22.59 62.25 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -171.521 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.7 ttt85 -52.47 -28.86 21.95 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 125.328 1.451 . . . . 0.0 111.511 175.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.408 HD21 ' HA ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -49.13 -29.74 5.72 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 172.543 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -128.39 -63.43 0.99 Allowed 'General case' 0 C--N 1.34 0.175 0 C-N-CA 124.358 1.063 . . . . 0.0 110.44 174.22 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 173.46 -54.2 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 127.45 2.3 . . . . 0.0 109.725 179.229 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -143.23 6.6 1.53 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.108 1.363 . . . . 0.0 111.542 -169.065 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -136.16 154.63 50.91 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.755 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.408 ' HA ' HD21 ' A' ' 63' ' ' ASN . 8.1 t -117.67 114.33 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 124.635 1.174 . . . . 0.0 107.993 177.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -78.74 146.85 33.66 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 120.083 -0.647 . . . . 0.0 109.551 175.384 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -42.01 -55.87 3.01 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -60.54 -42.59 96.82 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.64 -0.662 . . . . 0.0 109.637 -174.65 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -69.8 -35.25 74.68 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.704 0.801 . . . . 0.0 110.077 -177.235 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.09 -53.3 57.63 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.196 0.598 . . . . 0.0 109.66 169.593 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.5 mt -62.94 -43.07 98.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 118.896 0.771 . . . . 0.0 111.4 179.083 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.0 m -49.42 -51.49 35.02 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.331 0.586 . . . . 0.0 109.678 173.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -61.25 -43.65 98.53 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.917 -0.563 . . . . 0.0 111.172 177.238 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.3 mt -56.04 -32.3 63.92 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.877 1.217 . . . . 0.0 110.856 175.353 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.11 -48.24 86.87 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 121.593 -0.692 . . . . 0.0 111.49 169.114 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.22 86.27 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.767 -0.843 . . . . 0.0 110.986 173.07 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.22 -44.13 97.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 121.555 -0.715 . . . . 0.0 109.973 179.172 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.09 -45.86 83.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.329 0.652 . . . . 0.0 110.395 172.461 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.5 ttt -60.72 -36.45 78.87 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.748 -0.595 . . . . 0.0 112.19 175.585 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.2 mt -69.91 -42.62 79.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.084 0.954 . . . . 0.0 110.498 176.781 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -52.3 -50.91 61.25 Favored 'General case' 0 C--N 1.342 0.246 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 170.55 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 71.61 -59.47 0.55 Allowed 'General case' 0 C--O 1.23 0.068 0 C-N-CA 126.637 1.975 . . . . 0.0 113.524 168.447 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -52.59 -40.09 62.28 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.329 1.052 . . . . 0.0 109.943 177.205 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.73 -42.07 64.55 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.452 0.701 . . . . 0.0 111.629 173.092 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.875 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -53.21 -36.8 78.98 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.071 2.514 . . . . 0.0 113.988 176.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 62.9 tp -80.33 -48.18 13.37 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 119.146 0.885 . . . . 0.0 109.808 174.266 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -52.55 -44.02 65.56 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 122.253 0.221 . . . . 0.0 110.89 -176.217 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -59.79 -39.05 83.63 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 117.928 0.331 . . . . 0.0 111.329 175.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.06 -54.53 17.65 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.364 0.529 . . . . 0.0 110.009 -176.365 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 25.0 pt -58.13 -43.09 84.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.68 -44.08 22.87 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 125.03 1.3 . . . . 0.0 112.482 170.221 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.421 ' CD1' HD12 ' B' ' 15' ' ' ILE . 0.3 OUTLIER -58.14 -59.17 5.7 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.646 1.178 . . . . 0.0 109.448 -179.727 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -52.58 -48.03 66.48 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.287 0.635 . . . . 0.0 110.456 178.386 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.1 mt -61.92 -50.17 81.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 C-N-CA 123.106 0.562 . . . . 0.0 110.103 -176.634 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.96 -47.91 88.88 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 125.045 1.307 . . . . 0.0 110.023 -177.71 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.421 HD12 ' CD1' ' B' ' 11' ' ' LEU . 8.7 mt -53.16 -55.81 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 174.539 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -52.64 -59.26 4.69 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.167 -176.044 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -69.24 -27.98 65.94 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -172.319 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -59.22 -54.8 42.72 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 170.003 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -62.22 -42.85 99.68 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 119.568 -0.253 . . . . 0.0 111.676 -178.671 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -57.91 -50.7 72.46 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.844 0.747 . . . . 0.0 110.401 173.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.626 0 C-N-CA 124.927 1.251 . . . . 0.0 111.322 178.522 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 . . . . . 0 CA--C 1.538 0.49 0 CA-C-O 121.01 0.433 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 98.7 m -148.9 151.37 34.54 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.762 1.225 . . . . 0.0 108.423 -176.434 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 76.5 mt -128.19 148.6 50.62 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 126.683 1.993 . . . . 0.0 108.05 175.204 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.3 p -84.44 162.98 19.74 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.643 0.656 . . . . 0.0 110.556 168.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -45.45 -54.58 7.19 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.41 1.484 . . . . 0.0 113.189 176.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -77.4 -33.48 55.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.768 -172.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -60.12 -42.36 94.59 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 171.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.524 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.3 tm? -59.34 -49.98 75.72 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 174.178 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -51.44 -49.32 61.91 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.172 -0.955 . . . . 0.0 110.175 176.418 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -55.35 -47.77 75.23 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.644 0.777 . . . . 0.0 111.146 179.243 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 tt -48.21 -53.97 15.14 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 124.239 1.016 . . . . 0.0 108.863 173.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 66.2 mt -65.0 -36.54 78.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 O-C-N 121.804 -0.56 . . . . 0.0 112.082 -178.594 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -61.55 -43.26 99.18 Favored 'General case' 0 N--CA 1.456 -0.13 0 O-C-N 121.561 -0.712 . . . . 0.0 109.746 178.264 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -54.13 18.58 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.294 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.9 -57.21 10.49 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.134 0.574 . . . . 0.0 112.151 -172.675 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 27.5 mt . . . . . 0 C--N 1.331 -0.219 0 C-N-CA 122.61 0.364 . . . . 0.0 110.584 -171.48 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t70 . . . . . 0 N--CA 1.464 0.261 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.33 -47.54 65.97 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.433 0.635 . . . . 0.0 111.092 174.384 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -65.71 -42.01 91.61 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.732 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 47.6 mm -54.48 -49.74 63.43 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 CA-C-O 118.788 -0.625 . . . . 0.0 110.31 174.707 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.275 16.4 m -67.87 -35.54 72.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 119.534 1.061 . . . . 0.0 112.443 -178.533 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -59.09 -55.22 37.82 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.552 1.069 . . . . 0.0 110.217 171.511 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 tt -51.79 -46.66 64.3 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.066 0.946 . . . . 0.0 110.912 176.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -63.35 -41.52 98.85 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.31 1.044 . . . . 0.0 109.726 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -58.85 -47.96 83.03 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 174.9 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -57.62 -48.7 78.71 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.826 -0.546 . . . . 0.0 110.582 179.057 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.1 mt -56.34 -53.07 61.62 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.036 0.535 . . . . 0.0 111.335 174.636 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -76.1 -20.81 57.34 Favored 'General case' 0 CA--C 1.527 0.061 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -169.171 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 . . . . . 0 CA--C 1.531 0.223 0 C-N-CA 124.198 0.999 . . . . 0.0 109.602 175.924 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 . . . . . 0 CA--C 1.535 0.393 0 CA-C-O 120.765 0.317 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 4.4 t -96.33 139.85 18.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 125.413 1.485 . . . . 0.0 107.489 171.762 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -111.83 147.06 36.54 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.446 1.021 . . . . 0.0 109.572 176.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -41.66 -61.21 1.13 Allowed 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -169.48 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -61.66 -37.52 84.36 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.238 -0.914 . . . . 0.0 110.593 -172.63 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -67.51 -39.13 85.11 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.753 0.821 . . . . 0.0 110.156 177.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -54.48 -51.22 65.74 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 119.297 -0.382 . . . . 0.0 110.367 169.774 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 30.1 mm -58.09 -51.1 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 118.684 0.675 . . . . 0.0 110.412 178.149 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 46.6 m -50.15 -50.6 48.36 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.674 0.79 . . . . 0.0 110.108 178.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -62.24 -43.87 97.84 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.57 179.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 72.2 mt -57.97 -37.45 74.22 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.446 1.021 . . . . 0.0 110.535 174.206 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.7 -54.69 29.22 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 169.031 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.16 -42.37 76.9 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.918 -0.754 . . . . 0.0 111.74 176.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.79 -46.71 89.42 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.412 1.085 . . . . 0.0 109.617 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -58.65 -42.4 88.28 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 122.966 0.506 . . . . 0.0 110.387 174.857 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 22.3 ttt -62.55 -42.75 99.73 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 122.157 -0.339 . . . . 0.0 111.543 176.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.07 -40.4 83.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 123.8 0.84 . . . . 0.0 109.609 174.366 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -71.97 55.78 0.3 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.36 0.664 . . . . 0.0 110.266 169.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.29 -35.27 69.59 Favored 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 121.13 -0.981 . . . . 0.0 112.028 -169.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -48.72 -39.78 25.98 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.685 0.794 . . . . 0.0 111.647 173.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.28 -51.96 60.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 173.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mt -53.46 -39.09 64.2 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 118.926 -0.559 . . . . 0.0 112.237 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -50.48 -37.46 38.7 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.772 0.714 . . . . 0.0 111.247 176.455 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.132 0 CA-C-O 117.23 -1.872 . . . . 0.0 110.36 174.875 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 tpt . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.2 -45.9 30.99 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.919 0.488 . . . . 0.0 111.085 -173.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -45.8 -44.9 35.09 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 114.962 1.468 . . . . 0.0 114.962 -170.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -53.97 -45.49 40.65 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.122 2.548 . . . . 0.0 112.777 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.9 tp -72.82 -47.32 47.39 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.246 177.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -51.74 -48.88 63.46 Favored 'General case' 0 C--N 1.337 0.033 0 C-N-CA 122.918 0.487 . . . . 0.0 110.623 -175.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -62.97 -38.63 91.88 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.293 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.18 -52.52 54.4 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.972 -0.455 . . . . 0.0 111.117 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.9 pt -57.59 -46.6 86.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 174.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.3 -45.49 5.26 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 125.014 1.292 . . . . 0.0 112.604 171.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.42 -60.95 2.78 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.161 0.985 . . . . 0.0 110.222 178.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -52.32 -47.39 66.01 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.529 0.732 . . . . 0.0 110.351 178.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.24 -47.76 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.95 -53.27 47.19 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 124.868 1.223 . . . . 0.0 110.169 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.8 mt -49.55 -48.18 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 123.192 0.597 . . . . 0.0 110.213 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -60.86 -60.83 3.18 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.826 0.346 . . . . 0.0 110.783 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -67.08 -28.0 67.82 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -168.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -52.97 -46.43 68.23 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 169.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -80.92 -48.16 12.7 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 118.111 -0.947 . . . . 0.0 111.973 -178.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.9 p -55.54 -41.71 73.59 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 119.992 1.269 . . . . 0.0 110.112 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -38.1 -36.34 0.35 Allowed Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.408 1.48 . . . . 0.0 114.157 171.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -55.83 -44.51 77.99 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.056 0.943 . . . . 0.0 111.522 177.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -86.91 -34.62 19.33 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.65 0.78 . . . . 0.0 110.494 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.44 172.34 29.76 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 109.569 -1.413 . . . . 0.0 109.569 172.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -71.41 73.58 0.72 Allowed 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 117.981 0.891 . . . . 0.0 109.816 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -117.83 151.04 38.15 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.65 1.58 . . . . 0.0 108.911 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -90.76 38.18 0.94 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.435 0.694 . . . . 0.0 109.438 172.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.0 m -148.32 145.56 28.18 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.377 2.271 . . . . 0.0 105.302 -174.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 tt -148.67 127.45 12.57 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -168.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.9 m -75.81 158.32 32.3 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 119.136 0.88 . . . . 0.0 111.486 -169.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.6 pttt -63.25 -50.52 69.88 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -169.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -64.14 -34.46 78.11 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.872 -1.143 . . . . 0.0 110.267 176.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.3 -40.27 96.89 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.124 0.57 . . . . 0.0 110.151 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.527 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.8 tm? -57.72 -49.03 77.89 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 170.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -55.79 -43.02 76.42 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 119.187 -1.005 . . . . 0.0 110.389 176.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -60.75 -36.78 79.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.968 0.907 . . . . 0.0 111.816 176.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tt -58.73 -57.01 14.9 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 123.889 0.876 . . . . 0.0 109.361 169.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.8 mt -57.18 -53.47 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-O 119.377 -0.345 . . . . 0.0 110.579 -175.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -52.64 -39.47 61.79 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.969 -0.539 . . . . 0.0 112.357 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -80.72 -56.54 4.08 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.673 0.67 . . . . 0.0 110.917 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -73.99 -48.52 29.74 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.569 0.748 . . . . 0.0 111.22 -168.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mp -95.27 69.55 3.14 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.49 74.46 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.985 1.314 . . . . 0.0 112.387 -173.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -67.56 105.37 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 O-C-N 121.178 -0.951 . . . . 0.0 108.777 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.76 -48.14 62.62 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 171.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.4 m -71.14 63.42 0.33 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.51 1.524 . . . . 0.0 112.409 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -57.02 -15.17 4.53 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.6 mt -49.09 -31.12 7.4 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.522 -0.736 . . . . 0.0 111.325 168.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -68.02 4.15 1.32 Allowed 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -44.21 -46.04 8.74 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 120.034 1.288 . . . . 0.0 112.415 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.62 -46.25 66.97 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.412 0.625 . . . . 0.0 111.116 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -64.19 -43.36 95.31 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.5 mm -57.41 -46.02 85.6 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 CA-C-O 118.423 -0.798 . . . . 0.0 110.988 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.253 14.5 m -70.48 -32.32 49.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 120.232 1.378 . . . . 0.0 112.408 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -61.03 -48.04 83.62 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.529 1.059 . . . . 0.0 109.905 169.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.82 -44.07 81.64 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.323 -0.861 . . . . 0.0 111.038 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.9 ttp -57.38 -51.72 68.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.474 1.11 . . . . 0.0 108.775 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -50.29 -53.44 28.55 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 123.313 0.645 . . . . 0.0 109.798 173.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.89 -40.85 77.01 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.943 0.792 . . . . 0.0 113.064 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.49 -58.66 6.31 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.284 0.493 . . . . 0.0 110.204 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -67.87 -27.37 66.62 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.293 -0.88 . . . . 0.0 112.821 -173.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -49.73 -26.76 4.09 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 126.036 1.735 . . . . 0.0 112.404 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -43.25 -37.37 2.14 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 169.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -148.44 22.11 1.05 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 168.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.301 0.7 OUTLIER 63.36 -43.17 0.22 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 129.142 2.977 . . . . 0.0 116.112 179.093 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -74.24 -52.38 12.53 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.326 -0.859 . . . . 0.0 111.45 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -138.14 156.64 47.54 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.459 0.704 . . . . 0.0 111.436 -169.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 t -80.99 142.79 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 169.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -113.54 142.58 45.78 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 173.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -45.06 -55.84 5.24 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.418 1.087 . . . . 0.0 113.782 -170.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -54.66 -43.22 72.19 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.611 -0.68 . . . . 0.0 110.926 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -69.49 -38.43 77.66 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.799 0.84 . . . . 0.0 109.899 -176.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -54.02 -52.59 60.34 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.257 0.623 . . . . 0.0 109.969 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.1 mm -59.09 -53.65 45.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 118.422 0.556 . . . . 0.0 110.199 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.0 m -51.62 -44.1 62.8 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 121.531 -0.731 . . . . 0.0 111.973 177.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -65.05 -45.23 86.24 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 122.936 0.494 . . . . 0.0 110.173 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.4 mt -56.51 -34.47 67.02 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.865 0.757 . . . . 0.0 110.314 172.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.13 -49.94 64.75 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 168.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.51 -46.03 84.26 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.818 0.809 . . . . 0.0 111.29 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 tp -57.91 -46.5 84.89 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.707 0.803 . . . . 0.0 109.891 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.416 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -58.98 -48.05 82.95 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.561 0.744 . . . . 0.0 110.467 175.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -55.47 -46.19 76.87 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 117.932 0.333 . . . . 0.0 110.776 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 77.9 mt -56.6 -44.91 82.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 174.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -70.82 38.53 0.05 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.635 0.774 . . . . 0.0 112.841 170.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -34.91 -41.72 0.14 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 128.58 2.752 . . . . 0.0 113.804 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -44.33 -48.91 9.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.662 0.785 . . . . 0.0 111.264 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.53 -39.44 76.6 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.797 0.839 . . . . 0.0 111.391 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.8 mp -74.13 -39.24 63.45 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.596 0.758 . . . . 0.0 109.398 -177.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -61.39 -43.93 98.03 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.527 0.331 . . . . 0.0 110.154 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.145 0 CA-C-O 117.202 -1.888 . . . . 0.0 111.13 176.277 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 96.7 mmm . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 120.543 0.211 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.21 31.12 0.2 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.727 0.811 . . . . 0.0 110.376 174.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.73 -52.01 6.65 Favored Pre-proline 0 CA--C 1.537 0.463 0 C-N-CA 125.262 1.425 . . . . 0.0 114.785 -168.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.81 -40.65 82.68 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.606 2.204 . . . . 0.0 112.607 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 52.0 tp -79.68 -44.11 21.48 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -49.48 -49.14 46.84 Favored 'General case' 0 C--O 1.227 -0.096 0 C-N-CA 123.853 0.861 . . . . 0.0 110.641 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -59.88 -39.54 85.64 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.433 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.71 -54.11 18.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.817 -0.552 . . . . 0.0 111.253 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.5 pt -58.07 -42.65 83.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.87 -45.14 18.87 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 125.613 1.578 . . . . 0.0 111.995 171.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -60.73 3.28 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.009 0.905 . . . . 0.0 110.307 178.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -51.05 -47.18 61.8 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.504 0.722 . . . . 0.0 110.212 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.416 HD11 ' HB1' ' A' ' 81' ' ' ALA . 61.4 mt -60.42 -47.95 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.626 0.77 . . . . 0.0 110.065 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.25 -54.3 38.41 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 124.883 1.23 . . . . 0.0 110.124 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.2 mt -50.61 -49.83 24.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -57.75 -59.02 5.85 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.769 -0.196 . . . . 0.0 111.13 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -69.62 -31.88 70.27 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 122.043 -0.411 . . . . 0.0 111.691 -170.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -51.52 -50.24 60.36 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 169.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -65.6 -51.56 58.74 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 117.399 -1.286 . . . . 0.0 112.428 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.6 m -45.83 -43.59 13.54 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 120.505 1.502 . . . . 0.0 110.864 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -34.1 -50.41 0.65 Allowed Glycine 0 CA--C 1.525 0.697 0 C-N-CA 125.503 1.525 . . . . 0.0 114.186 170.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -39.21 -39.54 0.63 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 127.118 2.167 . . . . 0.0 112.584 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -141.31 39.75 1.75 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.933 0.493 . . . . 0.0 110.007 173.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 40.37 43.65 2.86 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 125.551 1.548 . . . . 0.0 113.685 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -80.34 47.57 0.93 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.768 0.827 . . . . 0.0 112.684 -168.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 mptt 39.35 -107.98 0.07 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.275 1.83 . . . . 0.0 113.623 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -124.32 40.04 3.83 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.065 1.346 . . . . 0.0 108.99 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.33 160.06 40.71 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 126.87 2.068 . . . . 0.0 107.379 -173.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 70.5 mt -133.48 131.36 39.77 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 170.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 49.0 m -77.93 154.68 31.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 119.047 0.839 . . . . 0.0 109.539 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -52.47 -44.66 65.71 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -168.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -80.53 -29.7 37.17 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.231 -0.918 . . . . 0.0 111.786 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -59.63 -42.7 93.29 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 173.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.518 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.1 tm? -55.09 -50.46 69.11 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.268 0.627 . . . . 0.0 110.228 170.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -52.3 -47.42 65.94 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.574 1.079 . . . . 0.0 109.948 175.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -45.13 81.37 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.52 0.6 . . . . 0.0 110.657 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 tt -49.35 -55.91 11.32 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 122.88 0.472 . . . . 0.0 110.194 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.415 ' CD1' HD21 ' B' ' 56' ' ' LEU . 47.2 mt -62.19 -50.68 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.305 -175.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -53.57 -42.08 67.19 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.488 0.585 . . . . 0.0 110.846 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -53.74 13.07 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -73.45 -62.87 1.33 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -175.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -82.04 77.65 8.83 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 44.7 p -64.58 79.01 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.2 1.0 . . . . 0.0 110.574 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -54.57 -44.07 67.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 124.494 1.118 . . . . 0.0 111.386 -174.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.64 -62.07 2.39 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -171.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.8 m -69.93 69.97 0.33 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.753 1.221 . . . . 0.0 110.866 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -59.27 -11.4 4.01 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -175.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 86.1 mt -48.32 -36.15 13.77 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.499 0.72 . . . . 0.0 110.941 168.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -69.64 -2.78 12.59 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -52.38 -31.78 35.55 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 119.6 1.091 . . . . 0.0 112.213 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.54 -50.06 60.77 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.264 0.554 . . . . 0.0 111.359 171.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.91 -43.69 98.12 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 36.5 mm -55.68 -43.9 75.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 118.595 -0.717 . . . . 0.0 110.823 177.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.264 13.1 m -69.2 -37.13 75.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-N 119.997 1.271 . . . . 0.0 112.486 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -58.66 -51.67 68.93 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.3 0.954 . . . . 0.0 109.777 172.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.415 HD21 ' CD1' ' B' ' 38' ' ' ILE . 2.5 tt -54.33 -45.67 72.73 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.789 0.836 . . . . 0.0 111.047 176.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -61.92 -44.64 96.36 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.094 0.958 . . . . 0.0 109.834 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -54.29 -53.01 59.52 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 172.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -56.94 -39.2 74.09 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.3 mt -63.54 -56.18 17.99 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.26 0.624 . . . . 0.0 111.192 173.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.63 -26.25 59.76 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.428 -0.795 . . . . 0.0 112.854 -171.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -52.23 -40.58 61.83 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.254 0.622 . . . . 0.0 110.554 -174.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -51.32 -27.37 9.42 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.485 1.114 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 tppm? -141.23 60.72 1.5 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 122.007 0.908 . . . . 0.0 109.38 168.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.26 3.7 p30 58.08 -58.2 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 128.682 2.793 . . . . 0.0 117.798 167.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -137.45 -0.23 2.21 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 125.771 1.628 . . . . 0.0 111.468 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -145.11 153.24 41.21 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 118.36 0.527 . . . . 0.0 109.583 -179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -94.97 117.32 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 C-N-CA 125.753 1.621 . . . . 0.0 107.467 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -78.81 148.58 32.85 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 170.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -39.69 -54.18 2.09 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -66.11 -32.84 74.53 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 120.821 -1.175 . . . . 0.0 111.289 -176.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -69.44 -40.22 77.34 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -55.24 -53.95 49.57 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.111 0.564 . . . . 0.0 110.15 170.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 31.9 mm -55.83 -54.33 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 118.229 0.468 . . . . 0.0 110.141 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 72.7 m -49.07 -51.82 29.22 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.9 0.88 . . . . 0.0 110.804 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -62.7 -42.0 99.42 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 119.198 -0.43 . . . . 0.0 110.863 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 70.6 mt -57.49 -35.04 69.7 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.504 1.047 . . . . 0.0 110.061 172.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.87 -51.49 57.84 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 168.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.04 -42.96 73.31 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.689 -0.889 . . . . 0.0 111.047 175.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.33 -44.77 96.64 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.438 1.095 . . . . 0.0 109.745 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.78 -45.18 86.35 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.165 0.586 . . . . 0.0 110.759 173.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 16.9 tpt -60.69 -43.23 98.01 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.093 -0.379 . . . . 0.0 111.293 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 71.3 mt -58.87 -44.08 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -73.32 54.46 0.43 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.379 0.672 . . . . 0.0 109.983 169.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -56.56 -32.6 65.33 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.336 -0.852 . . . . 0.0 112.698 -169.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -51.93 -39.82 59.77 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.067 0.547 . . . . 0.0 111.74 173.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.65 -39.91 95.37 Favored 'General case' 0 N--CA 1.458 -0.067 0 C-N-CA 123.118 0.567 . . . . 0.0 110.44 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.3 mt -64.89 -52.94 53.82 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -68.3 -37.19 80.39 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 117.302 -1.832 . . . . 0.0 110.463 177.703 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.3 mmm . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.63 -61.95 0.35 Allowed 'General case' 0 C--O 1.233 0.192 0 C-N-CA 130.505 3.522 . . . . 0.0 110.869 175.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.83 -53.54 4.62 Favored Pre-proline 0 N--CA 1.445 -0.706 0 C-N-CA 127.664 2.385 . . . . 0.0 113.036 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.84 -53.4 5.6 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.458 2.105 . . . . 0.0 112.826 -175.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -70.12 -44.94 67.92 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.002 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -53.59 -47.8 69.81 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 122.925 0.49 . . . . 0.0 111.092 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -62.68 -38.92 92.26 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.359 0.527 . . . . 0.0 110.839 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.07 -54.26 27.99 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 121.919 -0.488 . . . . 0.0 111.303 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.3 pt -57.9 -41.98 81.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-N 118.796 0.725 . . . . 0.0 109.104 175.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.0 -44.07 13.48 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 125.389 1.471 . . . . 0.0 112.444 169.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.94 -60.41 3.9 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.295 1.047 . . . . 0.0 109.901 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -52.11 -47.34 65.33 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.496 0.718 . . . . 0.0 110.245 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.441 HD11 ' HB1' ' B' ' 81' ' ' ALA . 59.4 mt -60.22 -54.53 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.187 0.995 . . . . 0.0 109.585 -178.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.29 -55.26 22.79 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 125.077 1.323 . . . . 0.0 109.989 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.8 mt -50.8 -54.72 8.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 117.512 0.656 . . . . 0.0 109.53 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -57.49 -58.37 8.58 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.79 -174.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.72 -31.55 68.44 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 122.109 -0.369 . . . . 0.0 110.942 -171.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -58.98 -50.53 73.72 Favored 'General case' 0 CA--C 1.527 0.061 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 173.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.409 ' CE2' ' HA ' ' A' ' 37' ' ' LEU . 3.0 m-85 -60.36 -46.21 90.75 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.406 175.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.1 t -54.95 -34.23 63.05 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.15 0.432 . . . . 0.0 110.66 175.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -41.95 -38.39 2.47 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 124.88 1.229 . . . . 0.0 112.921 171.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -64.9 -37.19 86.79 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 117.824 0.812 . . . . 0.0 111.91 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -94.15 -45.08 7.7 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.314 0.646 . . . . 0.0 111.276 -176.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.7 39.39 0.03 OUTLIER Glycine 0 CA--C 1.53 0.973 0 CA-C-O 118.942 -0.921 . . . . 0.0 114.184 171.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 42.51 69.66 0.36 Allowed 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.501 1.52 . . . . 0.0 113.385 169.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 ptpp? -147.75 172.38 14.19 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 121.777 -0.577 . . . . 0.0 110.337 -176.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -77.92 37.08 0.23 Allowed 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.23 -0.919 . . . . 0.0 111.709 -173.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.4 p -147.6 138.89 23.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.909 1.684 . . . . 0.0 108.72 -177.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.2 mt -116.43 140.27 49.54 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 168.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.9 t -78.19 154.39 31.16 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 120.339 1.427 . . . . 0.0 108.519 169.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -53.18 -41.5 65.3 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.569 0.748 . . . . 0.0 112.959 -172.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -70.97 -32.33 69.15 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.986 -1.072 . . . . 0.0 111.147 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -63.61 -43.76 95.96 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.563 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.5 tm? -54.82 -49.2 71.6 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.762 0.425 . . . . 0.0 110.084 171.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -52.62 -50.47 63.04 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.014 -1.054 . . . . 0.0 110.341 176.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -56.5 -39.78 73.88 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.059 0.944 . . . . 0.0 111.745 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.409 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 5.3 tt -57.38 -56.21 24.85 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 123.906 0.882 . . . . 0.0 109.854 171.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.9 mt -56.87 -43.37 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 119.115 -0.469 . . . . 0.0 110.785 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -53.97 -48.62 70.14 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 117.981 0.355 . . . . 0.0 110.318 -175.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -75.57 -59.07 2.91 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.221 0.534 . . . . 0.0 110.173 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -67.38 -37.69 83.57 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -166.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 mp -89.53 6.36 41.38 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.31 0.505 . . . . 0.0 110.836 172.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.6 p 47.11 63.64 1.87 Allowed 'General case' 0 C--N 1.342 0.254 0 C-N-CA 124.759 1.224 . . . . 0.0 110.27 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.4 tp -47.53 -60.19 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -168.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.94 -73.11 0.12 Allowed Glycine 0 CA--C 1.532 1.138 0 C-N-CA 123.888 0.756 . . . . 0.0 111.668 -173.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 p -75.0 69.51 1.93 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.718 1.607 . . . . 0.0 110.903 -175.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -49.43 -26.38 3.25 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.836 1.254 . . . . 0.0 113.15 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -48.54 -35.31 13.01 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.806 0.842 . . . . 0.0 111.688 173.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -73.15 3.66 5.35 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.661 0.784 . . . . 0.0 112.963 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -47.45 -38.73 14.15 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 119.302 0.955 . . . . 0.0 112.253 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.39 -49.47 54.36 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.482 0.583 . . . . 0.0 111.529 174.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.79 -43.21 96.99 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.3 mm -56.12 -45.65 80.75 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.806 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.256 17.1 m -72.24 -32.41 42.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 119.629 1.104 . . . . 0.0 112.259 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -58.56 -53.99 52.12 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.471 1.032 . . . . 0.0 109.128 169.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tt -54.73 -43.52 72.72 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.246 0.618 . . . . 0.0 111.142 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.1 ttp -59.28 -47.25 86.09 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 124.175 0.99 . . . . 0.0 109.148 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.07 -48.36 76.21 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -58.04 -47.13 84.03 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.349 0.26 . . . . 0.0 111.33 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mt -56.87 -64.58 0.83 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.61 0.719 . . . . 0.0 109.991 172.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -62.91 -19.3 64.07 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.637 1.175 . . . . 0.0 113.28 -170.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -43.28 -40.9 3.71 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 124.501 1.121 . . . . 0.0 111.695 174.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.469 HD21 ' HA ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -44.39 -40.18 5.22 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 175.542 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -161.41 62.22 0.27 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.689 1.196 . . . . 0.0 109.391 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.292 49.3 p-10 26.26 -72.9 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 129.466 3.107 . . . . 0.0 118.167 177.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -80.18 -11.72 59.72 Favored 'General case' 0 C--O 1.238 0.463 0 O-C-N 121.084 -1.01 . . . . 0.0 112.776 -176.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -149.26 166.72 28.09 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.905 0.859 . . . . 0.0 113.144 -169.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.469 ' HA ' HD21 ' A' ' 63' ' ' ASN . 11.4 t -119.9 115.66 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 128.003 2.521 . . . . 0.0 106.895 176.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -78.76 147.33 33.4 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 172.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -43.9 -54.59 5.19 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.512 1.125 . . . . 0.0 113.638 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -53.82 -42.0 67.94 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.789 -0.569 . . . . 0.0 110.531 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -72.56 -39.71 67.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.379 1.072 . . . . 0.0 109.81 -175.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -53.11 -52.76 57.61 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.185 0.594 . . . . 0.0 109.819 169.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.1 mm -58.06 -50.72 77.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-N 118.25 0.477 . . . . 0.0 110.112 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.9 m -49.95 -47.98 52.29 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.467 0.707 . . . . 0.0 110.991 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -66.62 -44.09 83.01 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 119.054 -0.498 . . . . 0.0 110.767 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.6 mt -55.6 -36.53 67.03 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.48 1.036 . . . . 0.0 109.998 174.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.45 -53.46 41.0 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 168.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.86 -46.82 68.03 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 117.872 0.836 . . . . 0.0 111.281 174.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.2 tp -57.68 -45.48 85.55 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.525 1.13 . . . . 0.0 110.046 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.02 96.36 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.828 0.451 . . . . 0.0 111.044 175.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.1 tmm? -56.98 -46.83 81.95 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 122.1 -0.375 . . . . 0.0 109.997 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.94 -43.58 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 125.2 1.4 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -50.71 -54.8 20.26 Favored 'General case' 0 C--N 1.342 0.25 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 171.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 68.94 -54.58 0.56 Allowed 'General case' 0 CA--C 1.527 0.078 0 C-N-CA 126.976 2.11 . . . . 0.0 113.992 171.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -49.89 -42.01 46.98 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.854 0.862 . . . . 0.0 110.039 173.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.35 -44.04 61.96 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.478 0.711 . . . . 0.0 111.632 172.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 21.9 mt -65.49 -48.69 71.72 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -53.52 -43.71 68.54 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 122.14 0.176 . . . . 0.0 110.984 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.162 0 CA-C-O 117.183 -1.898 . . . . 0.0 111.225 173.802 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 111.242 0.09 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.78 6.22 0.84 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.936 1.694 . . . . 0.0 114.592 176.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -51.44 -45.67 90.28 Favored Pre-proline 0 N--CA 1.446 -0.65 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -169.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -58.05 -41.79 64.45 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.943 1.762 . . . . 0.0 113.893 -173.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 60.2 tp -80.05 -46.97 15.61 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.5 -35.22 69.95 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 119.409 -0.329 . . . . 0.0 111.709 -170.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -62.44 -40.72 97.48 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.652 0.66 . . . . 0.0 111.783 173.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.01 -51.4 39.58 Favored 'General case' 0 CA--C 1.519 -0.239 0 O-C-N 121.631 -0.668 . . . . 0.0 110.402 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 pt -56.79 -44.89 82.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 118.915 -1.114 . . . . 0.0 108.222 172.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.44 -44.48 5.16 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.726 1.155 . . . . 0.0 112.651 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -62.09 2.02 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 117.979 0.89 . . . . 0.0 110.624 177.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -49.57 -49.73 45.27 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.08 0.952 . . . . 0.0 109.747 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.76 -50.75 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.295 -176.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.85 -54.78 32.78 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.8 mt -49.84 -54.82 6.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -57.27 -62.51 1.71 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 120.957 0.408 . . . . 0.0 111.671 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.89 -30.69 69.24 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.642 -0.661 . . . . 0.0 111.7 -168.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -60.12 -47.24 86.73 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.777 0.717 . . . . 0.0 109.458 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -58.59 -46.56 86.71 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 118.398 -0.81 . . . . 0.0 111.338 174.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.5 p -50.51 -48.71 56.89 Favored 'General case' 0 C--N 1.341 0.206 0 CA-C-N 118.829 0.741 . . . . 0.0 109.678 177.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -37.22 -37.19 0.26 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.973 1.749 . . . . 0.0 114.531 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -56.61 -46.63 80.79 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.347 1.074 . . . . 0.0 111.876 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -90.31 -40.6 12.02 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.722 0.809 . . . . 0.0 110.031 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.47 139.05 2.68 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 107.344 -2.303 . . . . 0.0 107.344 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -67.54 100.87 0.92 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.02 0.91 . . . . 0.0 109.584 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -164.9 166.3 19.65 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 118.498 0.59 . . . . 0.0 110.412 -177.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -75.81 34.14 0.12 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.008 0.923 . . . . 0.0 112.949 -169.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 37.6 p -149.18 134.73 18.58 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.59 1.156 . . . . 0.0 109.9 -172.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 58.3 mt -110.23 146.59 35.35 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 168.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.2 p -78.44 155.82 29.71 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.429 1.013 . . . . 0.0 108.877 168.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -57.64 -42.13 82.79 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.467 -0.771 . . . . 0.0 112.579 -173.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -67.8 -37.52 82.12 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.774 -1.204 . . . . 0.0 110.729 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.0 -40.37 88.99 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.496 -0.753 . . . . 0.0 110.346 175.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.513 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.9 tm? -54.81 -49.03 71.99 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 170.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -54.11 -40.61 67.47 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.092 -1.005 . . . . 0.0 111.349 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.3 -47.87 82.37 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 122.225 0.21 . . . . 0.0 110.534 176.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 tt -50.39 -52.02 41.05 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 124.052 0.941 . . . . 0.0 109.715 175.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 39.8 mt -59.75 -52.32 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 122.59 0.356 . . . . 0.0 110.506 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -61.13 -28.55 69.18 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -76.34 -62.47 1.61 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.577 0.626 . . . . 0.0 111.173 170.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -66.54 -56.92 8.56 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.583 0.353 . . . . 0.0 110.802 -170.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 89.4 mt -88.51 -37.68 15.56 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 123.024 0.53 . . . . 0.0 110.272 -171.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.7 p 68.56 179.51 0.24 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.573 1.549 . . . . 0.0 110.723 -172.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 31.3 mt -141.98 -58.8 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.099 0 C-N-CA 123.739 0.816 . . . . 0.0 109.009 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.47 -67.45 1.25 Allowed Glycine 0 CA--C 1.529 0.907 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 -169.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.6 m -70.87 71.7 0.53 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.745 1.218 . . . . 0.0 110.685 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -52.05 -21.32 3.06 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.25 1.02 . . . . 0.0 113.553 -177.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.441 HD22 ' H ' ' B' ' 48' ' ' LEU . 3.3 mm? -46.1 -37.61 7.05 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.037 0.935 . . . . 0.0 111.598 169.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -70.04 -1.87 11.09 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -47.34 -38.83 13.63 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.336 0.971 . . . . 0.0 112.304 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.45 -48.92 56.32 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.044 0.537 . . . . 0.0 111.425 173.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -64.06 -41.7 97.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 42.7 mm -57.64 -46.18 86.5 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 CA-C-O 118.656 -0.687 . . . . 0.0 110.794 177.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.9 m -70.03 -34.3 59.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 119.827 1.194 . . . . 0.0 112.078 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -58.64 -52.8 64.12 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.839 0.745 . . . . 0.0 109.71 171.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tt -55.72 -44.79 77.82 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.016 0.927 . . . . 0.0 111.059 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 39.7 ttp -56.08 -51.31 68.31 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.341 1.056 . . . . 0.0 109.021 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -54.39 -50.55 67.27 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -60.2 -26.7 66.58 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.22 -60.99 1.98 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.755 0.707 . . . . 0.0 110.445 169.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -67.29 -31.4 71.69 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -170.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 12.1 ptt85 -60.05 -31.13 69.7 Favored 'General case' 0 C--N 1.339 0.133 0 CA-C-N 118.947 0.794 . . . . 0.0 111.724 -169.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -62.69 -23.14 66.98 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.775 0.43 . . . . 0.0 110.937 -178.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -105.11 -65.34 1.05 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.453 1.101 . . . . 0.0 108.836 173.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -178.05 -84.75 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.676 1.591 . . . . 0.0 110.222 173.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -136.69 16.79 3.1 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.8 1.64 . . . . 0.0 111.151 -178.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -134.65 153.18 52.1 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 104.309 -2.478 . . . . 0.0 104.309 168.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 9.5 t -94.15 107.47 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -78.76 148.83 32.83 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -46.36 -57.25 4.79 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.872 1.269 . . . . 0.0 114.058 -169.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -61.9 -37.02 83.02 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 119.247 -0.981 . . . . 0.0 110.561 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -64.93 -41.39 95.57 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.18 0.592 . . . . 0.0 110.061 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -52.48 -55.52 21.42 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.004 0.365 . . . . 0.0 110.445 170.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 20.8 mm -56.26 -51.34 64.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 120.979 0.418 . . . . 0.0 110.038 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 75.2 m -52.67 -50.41 63.31 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 124.264 1.026 . . . . 0.0 110.202 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -62.03 -43.53 98.64 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 119.144 -0.455 . . . . 0.0 110.777 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 74.2 mt -56.14 -37.06 68.98 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.29 0.95 . . . . 0.0 110.128 173.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.18 -48.87 76.63 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 169.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.83 -48.96 76.83 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.259 1.03 . . . . 0.0 110.855 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.2 tp -53.84 -49.34 68.66 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.178 1.391 . . . . 0.0 109.506 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.441 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -59.14 -43.32 92.0 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.755 0.822 . . . . 0.0 111.305 176.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 22.5 ttt -64.62 -41.46 96.18 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.097 0.559 . . . . 0.0 110.638 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 72.2 mt -59.6 -42.29 87.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 173.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -73.26 56.43 0.47 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.113 0.565 . . . . 0.0 111.207 170.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -47.65 -38.12 14.19 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.399 1.48 . . . . 0.0 111.57 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -48.21 -46.26 34.93 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.136 0.974 . . . . 0.0 111.359 174.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.75 -41.29 98.05 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 117.994 0.361 . . . . 0.0 110.61 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 9.5 mt -65.14 -49.33 70.31 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.015 0.526 . . . . 0.0 110.257 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -47.81 75.07 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.8 0.44 . . . . 0.0 110.955 175.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.228 0 CA-C-O 117.03 -1.984 . . . . 0.0 111.448 -179.073 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.66 -27.59 55.67 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -168.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -46.43 -50.72 39.0 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 117.392 -1.289 . . . . 0.0 114.235 -169.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.53 -53.98 5.95 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 123.317 2.678 . . . . 0.0 112.611 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.5 tp -66.1 -46.55 77.22 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 121.314 -0.866 . . . . 0.0 109.817 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -52.39 -50.46 62.43 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 122.535 0.334 . . . . 0.0 110.814 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -61.66 -39.05 89.98 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.194 0.452 . . . . 0.0 110.863 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.49 -55.22 22.12 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.807 -0.558 . . . . 0.0 111.799 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.8 pt -57.32 -42.42 80.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 118.899 0.772 . . . . 0.0 108.945 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.73 -43.74 16.44 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 125.682 1.61 . . . . 0.0 112.739 170.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.5 -60.5 3.7 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.464 1.132 . . . . 0.0 109.657 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -52.08 -48.67 64.57 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.872 0.869 . . . . 0.0 110.152 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.4 -51.81 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -177.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.12 -51.25 58.56 Favored Glycine 0 CA--C 1.522 0.507 0 C-N-CA 124.698 1.142 . . . . 0.0 110.308 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mt -52.13 -57.6 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -55.57 -52.53 63.42 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 120.933 0.397 . . . . 0.0 111.142 -174.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -74.66 -25.66 59.34 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 118.698 -0.668 . . . . 0.0 112.082 -172.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -60.06 -57.56 12.31 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 169.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -63.11 -39.59 95.14 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.882 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 m -62.27 -55.36 29.08 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 174.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -43.41 -44.04 6.28 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 125.491 1.52 . . . . 0.0 112.201 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -46.97 -46.48 21.61 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.373 0.669 . . . . 0.0 112.316 175.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -90.16 -34.77 15.72 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.247 0.619 . . . . 0.0 111.534 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.03 155.36 13.44 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 174.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -75.62 64.58 1.7 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.982 0.913 . . . . 0.0 110.603 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -131.88 145.11 51.33 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.713 1.605 . . . . 0.0 107.957 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -80.72 48.91 1.12 Allowed 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.633 -0.667 . . . . 0.0 110.954 -174.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.0 p -152.3 126.45 9.19 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.6 1.16 . . . . 0.0 110.181 -169.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.3 mt -97.41 135.28 39.52 Favored 'General case' 0 C--O 1.227 -0.12 0 O-C-N 123.862 0.726 . . . . 0.0 110.352 174.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.7 m -78.09 151.81 33.2 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 168.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -54.23 -47.04 72.64 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -168.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -69.1 -31.28 69.88 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.345 -0.847 . . . . 0.0 111.158 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.63 -43.8 92.54 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 173.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.528 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.3 tm? -55.29 -48.18 74.44 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.685 0.394 . . . . 0.0 110.158 171.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -55.53 -42.99 75.34 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 120.354 -1.466 . . . . 0.0 111.196 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.56 -46.23 89.51 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 122.585 0.354 . . . . 0.0 110.228 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tt -51.43 -54.29 28.36 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 123.867 0.867 . . . . 0.0 109.497 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.2 mt -62.14 -55.41 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.646 -175.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -53.32 -42.24 66.49 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 118.75 -0.643 . . . . 0.0 111.368 -176.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -74.89 -58.95 2.97 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.136 -0.625 . . . . 0.0 110.881 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -68.58 -46.69 68.73 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 122.041 -0.412 . . . . 0.0 111.829 -167.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -75.14 -10.37 59.4 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.9 t 44.26 53.07 6.92 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 126.235 1.814 . . . . 0.0 111.154 176.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.7 pt -61.55 -35.51 67.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.835 -169.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.54 -63.22 1.86 Allowed Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -177.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.8 m -67.44 72.37 0.13 Allowed 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 126.281 1.832 . . . . 0.0 112.513 -176.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -53.51 -21.79 6.99 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.323 1.049 . . . . 0.0 112.941 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.4 mt -47.2 -34.43 6.36 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.61 0.764 . . . . 0.0 111.846 170.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -72.83 5.23 3.36 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -46.65 -41.4 14.73 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 119.449 1.022 . . . . 0.0 112.2 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.81 -48.27 59.74 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.248 0.547 . . . . 0.0 111.362 174.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -65.08 -42.47 94.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 42.1 mm -56.68 -47.89 81.67 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.583 176.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.6 m -68.15 -36.04 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 120.054 1.297 . . . . 0.0 112.061 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -57.56 -51.2 70.45 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.683 1.129 . . . . 0.0 109.934 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 tt -57.49 -44.59 85.08 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.28 0.632 . . . . 0.0 111.32 177.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -38.74 92.29 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.533 -0.729 . . . . 0.0 109.814 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.61 -46.57 89.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 172.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -56.54 -48.92 76.25 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.354 0.524 . . . . 0.0 111.102 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mt -52.19 -62.45 1.63 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.439 0.695 . . . . 0.0 109.553 172.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -68.33 -19.92 64.69 Favored 'General case' 0 C--O 1.225 -0.187 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -171.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -52.93 -32.26 44.61 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.182 0.901 . . . . 0.0 110.506 172.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.97 -23.15 55.32 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 119.307 -0.377 . . . . 0.0 112.007 178.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -165.43 91.93 0.53 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.117 1.367 . . . . 0.0 108.242 -177.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -62.18 -36.11 80.9 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -168.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -64.28 -57.73 8.58 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.472 0.654 . . . . 0.0 111.123 -169.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -160.87 132.99 5.93 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.5 m -77.77 117.67 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -168.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -78.97 149.53 32.24 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.298 -175.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -41.17 -51.11 3.51 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.758 1.223 . . . . 0.0 113.843 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -58.71 -47.35 84.86 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.452 -0.78 . . . . 0.0 109.984 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -66.38 -37.98 86.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.66 0.384 . . . . 0.0 110.145 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -54.22 -54.37 40.82 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.95 0.5 . . . . 0.0 110.625 170.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.9 mm -58.23 -48.47 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 118.914 0.779 . . . . 0.0 110.267 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.0 m -50.69 -51.78 46.25 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.259 0.624 . . . . 0.0 110.004 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.22 -43.48 98.8 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 122.991 0.516 . . . . 0.0 110.793 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.06 -33.05 68.62 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.134 0.879 . . . . 0.0 110.813 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.43 -50.08 67.84 Favored Glycine 0 CA--C 1.532 1.12 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 168.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.84 66.62 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 122.274 -0.545 . . . . 0.0 110.479 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.0 tp -53.45 -46.52 69.92 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.043 1.337 . . . . 0.0 110.356 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.3 -52.53 64.96 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.213 0.605 . . . . 0.0 110.667 177.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . 0.289 3.6 ppp? -67.12 -25.9 66.42 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 119.511 -0.876 . . . . 0.0 112.427 177.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 mp -59.09 -43.18 88.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 168.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -74.72 51.52 0.48 Allowed 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.605 -0.685 . . . . 0.0 110.668 169.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -44.79 -42.91 8.21 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 126.397 1.879 . . . . 0.0 112.639 -173.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -53.37 -37.17 62.15 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.27 0.628 . . . . 0.0 111.815 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.14 -35.49 77.24 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.001 0.52 . . . . 0.0 111.396 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.0 mp -81.64 -44.29 17.39 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -58.33 -45.4 88.19 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 122.094 -0.379 . . . . 0.0 110.893 174.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.178 0 CA-C-O 116.919 -2.045 . . . . 0.0 110.458 179.435 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.8 ttt . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 73.16 -28.11 0.19 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.946 1.698 . . . . 0.0 115.045 171.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -37.59 -56.45 1.75 Allowed Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 127.664 2.386 . . . . 0.0 115.261 -175.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -64.12 -32.01 64.17 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 CA-C-N 121.293 1.498 . . . . 0.0 113.839 -170.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.1 tp -81.76 -47.44 12.89 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.925 0.784 . . . . 0.0 109.397 169.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -50.16 -42.27 50.62 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 123.867 0.867 . . . . 0.0 111.846 -174.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -53.92 -44.16 70.35 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.361 0.528 . . . . 0.0 111.568 175.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.85 -53.18 19.27 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.737 -0.602 . . . . 0.0 110.71 -173.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 40.2 pt -57.29 -40.51 74.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 173.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.84 -42.03 28.75 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 125.821 1.676 . . . . 0.0 111.968 171.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -59.52 5.28 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.141 0.971 . . . . 0.0 109.932 176.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -50.72 -47.13 59.29 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.34 0.656 . . . . 0.0 110.326 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.1 mt -61.02 -53.1 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.858 0.863 . . . . 0.0 109.588 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.4 -51.25 48.8 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 124.932 1.253 . . . . 0.0 110.702 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 mt -52.88 -60.95 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 175.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -50.14 -54.9 17.54 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 121.05 0.453 . . . . 0.0 111.333 -174.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -72.62 -25.93 61.49 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.154 0.582 . . . . 0.0 112.399 -174.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -64.07 -50.0 70.09 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.459 1.027 . . . . 0.0 108.71 169.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -64.97 -42.34 94.65 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.878 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 51.6 p -63.46 -44.74 93.61 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 119.621 1.1 . . . . 0.0 108.784 172.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -37.86 -53.01 2.01 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 126.415 1.96 . . . . 0.0 112.423 170.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -48.49 -35.86 13.97 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.084 0.954 . . . . 0.0 112.385 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -115.6 32.53 6.02 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.312 1.445 . . . . 0.0 111.316 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.32 110.88 0.94 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -57.59 125.25 22.08 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 123.46 0.704 . . . . 0.0 110.949 -174.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -159.78 174.68 14.12 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.96 0.904 . . . . 0.0 108.997 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -86.7 20.27 2.6 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.258 1.023 . . . . 0.0 111.91 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 69.0 p -134.33 158.41 43.88 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.317 1.447 . . . . 0.0 109.269 176.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 52.9 mt -123.75 141.59 51.88 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 169.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 18.3 t -76.28 146.93 38.59 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 169.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.33 -36.06 63.37 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -172.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -77.4 -30.62 53.67 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.046 -1.034 . . . . 0.0 111.029 176.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.7 -42.5 97.95 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.266 -0.896 . . . . 0.0 108.672 171.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.554 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.6 tm? -54.54 -49.46 70.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 170.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -51.81 -46.2 64.17 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.837 1.199 . . . . 0.0 111.062 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.1 -50.17 71.8 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 tt -49.02 -54.48 15.55 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 124.385 1.074 . . . . 0.0 110.542 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -59.76 -58.57 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -56.87 -35.82 69.36 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.469 0.577 . . . . 0.0 110.955 -174.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -79.86 -44.99 19.47 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -76.07 -68.67 0.56 Allowed 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 176.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 66.0 mt -79.77 75.2 6.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -177.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 44.2 p -67.22 74.6 0.13 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.513 1.125 . . . . 0.0 110.275 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 11.0 pt -58.05 -38.67 68.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 124.12 0.968 . . . . 0.0 111.985 -178.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.18 -48.66 2.81 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.1 p -68.67 70.35 0.18 Allowed 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 125.561 1.544 . . . . 0.0 111.041 175.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -53.45 -21.73 6.64 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.722 1.209 . . . . 0.0 113.464 -177.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.404 HD22 ' H ' ' B' ' 48' ' ' LEU . 3.3 mm? -50.36 -38.11 40.58 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.202 -0.936 . . . . 0.0 110.896 171.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -70.34 -3.18 16.12 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.601 0.76 . . . . 0.0 112.806 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -52.55 -32.24 39.83 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 119.579 1.082 . . . . 0.0 111.411 176.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.86 -50.18 64.3 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.51 0.671 . . . . 0.0 111.08 170.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -63.93 -42.06 97.46 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 33.9 mm -56.55 -45.2 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.853 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.279 13.7 m -67.17 -37.09 78.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 120.242 1.383 . . . . 0.0 112.369 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -58.54 -51.48 69.71 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.144 0.884 . . . . 0.0 110.221 172.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 tt -56.76 -43.88 81.21 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.631 -0.668 . . . . 0.0 111.181 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -59.95 -44.46 94.4 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 124.355 1.062 . . . . 0.0 110.078 177.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -57.39 -48.98 77.64 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 173.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -58.84 -44.14 90.88 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 122.097 -0.377 . . . . 0.0 111.544 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mt -58.89 -57.09 14.58 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.423 0.63 . . . . 0.0 110.016 171.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.25 -16.51 64.08 Favored 'General case' 0 N--CA 1.458 -0.048 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 -172.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -32.11 -43.27 0.07 Allowed 'General case' 0 C--N 1.342 0.264 0 C-N-CA 125.864 1.665 . . . . 0.0 110.404 168.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -27.01 -67.92 0.05 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.334 1.854 . . . . 0.0 113.568 167.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -155.2 48.56 0.54 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.372 1.469 . . . . 0.0 110.252 -177.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 p30 48.33 -75.79 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 128.187 2.595 . . . . 0.0 114.946 169.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -56.36 -41.22 75.81 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.557 1.143 . . . . 0.0 110.411 171.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -134.92 152.66 51.94 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -169.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 4.8 t -93.75 148.58 4.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 127.708 2.403 . . . . 0.0 106.426 168.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.38 152.68 25.96 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 119.382 0.992 . . . . 0.0 110.02 170.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -42.15 -54.98 3.43 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.099 1.36 . . . . 0.0 113.625 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -58.95 -46.89 86.91 Favored 'General case' 0 N--CA 1.457 -0.079 0 O-C-N 121.637 -0.664 . . . . 0.0 109.951 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -63.45 -42.29 98.65 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -52.74 -54.95 26.57 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.082 0.553 . . . . 0.0 111.077 173.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 33.1 mm -58.53 -51.57 70.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 119.27 0.941 . . . . 0.0 110.373 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 37.4 m -53.15 -48.07 68.24 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.63 0.728 . . . . 0.0 110.001 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -62.7 -43.57 98.46 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 123.88 0.872 . . . . 0.0 110.409 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 71.2 mt -56.86 -33.5 66.89 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.363 0.983 . . . . 0.0 110.449 173.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.47 -50.71 64.14 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 169.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.55 75.57 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.612 -0.934 . . . . 0.0 111.136 173.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 tp -61.9 -43.25 99.24 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.884 0.874 . . . . 0.0 110.2 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.48 -44.7 76.74 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.247 0.619 . . . . 0.0 110.415 171.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 63.0 mtm -64.4 -38.26 90.41 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 175.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.99 -42.21 92.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -74.71 53.61 0.58 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.636 0.774 . . . . 0.0 109.313 169.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -51.34 -39.33 56.78 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 125.332 1.453 . . . . 0.0 113.555 -167.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -44.37 -45.51 8.92 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.109 0.964 . . . . 0.0 111.125 174.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.26 -33.46 67.62 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.463 0.705 . . . . 0.0 111.966 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 45.6 mt -62.59 -40.86 98.25 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.19 0.45 . . . . 0.0 109.926 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -76.87 -46.57 24.13 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 116.978 -2.012 . . . . 0.0 109.576 177.139 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtm . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.3 -56.29 0.6 Allowed 'General case' 0 C--O 1.234 0.245 0 C-N-CA 127.142 2.177 . . . . 0.0 111.028 -172.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -42.07 -48.25 11.21 Favored Pre-proline 0 N--CA 1.452 -0.329 0 C-N-CA 125.493 1.517 . . . . 0.0 113.445 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -53.7 -45.92 37.51 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 122.657 2.238 . . . . 0.0 112.625 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.9 tp -73.53 -46.31 48.46 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 120.071 -0.652 . . . . 0.0 109.247 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -51.87 -48.47 64.03 Favored 'General case' 0 CA--C 1.527 0.067 0 C-N-CA 123.204 0.602 . . . . 0.0 110.666 -176.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -61.74 -38.52 88.27 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 117.929 0.331 . . . . 0.0 111.087 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.97 -53.9 27.12 Favored 'General case' 0 N--CA 1.455 -0.195 0 O-C-N 121.736 -0.603 . . . . 0.0 111.194 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.8 pt -57.38 -44.68 84.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 174.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.13 -42.05 16.04 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 125.604 1.573 . . . . 0.0 112.35 172.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -60.39 3.85 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.963 0.905 . . . . 0.0 109.932 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -51.79 -47.0 64.42 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.243 0.617 . . . . 0.0 110.184 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.6 mt -60.29 -53.32 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.394 0.678 . . . . 0.0 109.716 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.81 -50.35 61.47 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 125.068 1.318 . . . . 0.0 110.224 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.1 mt -50.96 -61.71 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -50.66 -53.63 29.51 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 121.255 0.55 . . . . 0.0 111.452 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -75.21 -24.52 57.76 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.972 -0.537 . . . . 0.0 111.834 -171.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -63.06 -53.73 49.21 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.243 0.928 . . . . 0.0 109.073 169.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -63.1 -39.6 95.19 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 122.205 -0.309 . . . . 0.0 111.332 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -59.68 -48.45 81.64 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 172.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -42.78 -47.4 6.09 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 125.839 1.685 . . . . 0.0 112.206 174.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -49.5 -37.72 27.52 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.17 0.588 . . . . 0.0 112.36 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -109.9 30.54 6.61 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.525 1.13 . . . . 0.0 111.274 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.23 116.35 0.48 Allowed Glycine 0 CA--C 1.529 0.909 0 N-CA-C 109.619 -1.393 . . . . 0.0 109.619 -175.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.37 134.88 57.08 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 117.845 0.822 . . . . 0.0 111.647 -173.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -169.99 161.22 8.67 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 126.429 1.892 . . . . 0.0 106.061 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -79.6 33.29 0.25 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.094 0.861 . . . . 0.0 112.199 -174.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.7 p -148.32 118.49 7.27 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 125.516 1.526 . . . . 0.0 109.393 -174.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.8 mt -90.03 143.49 26.73 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 169.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.3 p -78.63 157.34 28.71 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 168.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -51.35 -47.04 62.88 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.259 0.552 . . . . 0.0 111.738 -176.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -73.51 -34.15 65.12 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.545 -0.722 . . . . 0.0 110.884 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.52 -44.81 95.45 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 121.741 -0.599 . . . . 0.0 109.809 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.566 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.8 tm? -54.09 -48.96 70.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 170.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -55.19 -44.86 75.69 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 120.911 -1.118 . . . . 0.0 110.636 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.99 -51.55 65.86 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.388 0.675 . . . . 0.0 110.431 175.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -44.33 -53.27 6.91 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 124.685 1.194 . . . . 0.0 110.197 171.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 54.8 mt -65.76 -44.46 93.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 O-C-N 121.685 -0.635 . . . . 0.0 111.787 -177.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -59.82 -43.81 94.34 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.607 -0.683 . . . . 0.0 110.606 178.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -80.11 -38.48 31.5 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.981 -0.449 . . . . 0.0 111.915 -173.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -80.14 -61.21 2.05 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 122.791 0.436 . . . . 0.0 110.62 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.9 mt -80.64 -45.96 16.41 Favored 'General case' 0 N--CA 1.463 0.181 0 O-C-N 121.589 -0.694 . . . . 0.0 110.294 -169.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m 60.87 55.82 3.07 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.286 0.565 . . . . 0.0 111.767 170.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.61 119.25 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 121.736 -0.602 . . . . 0.0 109.827 174.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.02 -31.52 66.7 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.5 t -70.69 75.53 0.6 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.286 1.035 . . . . 0.0 109.833 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -61.87 -21.33 64.6 Favored 'General case' 0 N--CA 1.461 0.125 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -172.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tt -45.9 -39.96 9.44 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.29 0.636 . . . . 0.0 110.256 168.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -77.16 4.51 10.22 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.724 0.809 . . . . 0.0 112.503 -176.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -48.24 -42.51 30.57 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 119.455 1.025 . . . . 0.0 110.801 170.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.53 -47.56 57.5 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.557 0.743 . . . . 0.0 111.285 173.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -64.22 -42.23 96.67 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.9 mm -56.63 -48.81 80.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.422 175.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.256 14.6 m -69.42 -31.99 51.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 119.846 1.203 . . . . 0.0 112.369 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -58.81 -53.11 62.07 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.205 0.911 . . . . 0.0 109.748 169.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.93 -44.18 74.04 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.222 1.009 . . . . 0.0 111.038 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.1 ttp -57.77 -49.84 75.25 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.443 1.097 . . . . 0.0 108.616 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -56.38 -48.04 77.69 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -56.03 -47.33 78.04 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.886 0.474 . . . . 0.0 111.523 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.33 -62.58 1.67 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.014 0.526 . . . . 0.0 110.017 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.1 -19.78 65.69 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -171.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -34.97 -53.44 0.57 Allowed 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 126.468 1.907 . . . . 0.0 110.949 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.595 HD21 ' HA ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -40.92 -38.24 0.93 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.932 1.293 . . . . 0.0 113.504 -178.106 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -147.16 59.13 1.17 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 13.61 82.93 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.653 2.381 . . . . 0.0 114.33 171.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 104.51 -15.43 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 128.703 2.801 . . . . 0.0 113.288 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -117.07 137.96 51.93 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.983 0.913 . . . . 0.0 109.619 172.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.595 ' HA ' HD21 ' A' ' 63' ' ' ASN . 13.8 p -107.86 112.65 41.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 123.218 0.607 . . . . 0.0 109.47 168.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -79.48 150.95 31.06 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.185 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -45.74 -50.73 13.54 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.498 1.119 . . . . 0.0 113.794 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -60.67 -41.06 94.3 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.371 -0.831 . . . . 0.0 110.586 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -74.99 -34.1 61.93 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.927 0.491 . . . . 0.0 110.872 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -55.68 -53.97 49.99 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 169.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.7 mm -56.06 -52.43 50.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.0 m -49.94 -51.59 39.97 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.607 0.363 . . . . 0.0 111.106 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.96 -42.97 99.72 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.717 0.407 . . . . 0.0 110.871 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.4 mt -57.07 -36.58 70.71 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.193 0.906 . . . . 0.0 110.102 173.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.66 -50.18 64.99 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 168.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.28 -44.25 79.6 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.21 1.005 . . . . 0.0 111.395 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 tp -58.59 -47.87 82.85 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.331 1.053 . . . . 0.0 109.517 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.466 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -59.14 -42.45 90.72 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.436 0.694 . . . . 0.0 111.223 175.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -61.09 -46.26 91.34 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.036 0.535 . . . . 0.0 110.265 176.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.32 -42.95 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -72.13 55.56 0.31 Allowed 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.944 -0.473 . . . . 0.0 110.721 170.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.28 -34.93 66.93 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.049 -1.032 . . . . 0.0 111.336 -170.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -48.43 -44.53 35.33 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.197 0.999 . . . . 0.0 110.918 173.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.65 81.35 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.108 0.563 . . . . 0.0 111.025 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.0 mt -59.57 -50.86 72.27 Favored 'General case' 0 C--N 1.339 0.139 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -69.29 -34.47 74.76 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 111.44 0.163 . . . . 0.0 111.44 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 117.183 -1.899 . . . . 0.0 113.61 -177.431 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.6 mmt . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 120.422 0.153 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.06 -28.38 67.75 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -169.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.97 -51.57 5.63 Favored Pre-proline 0 CA--C 1.539 0.534 0 C-N-CA 125.949 1.7 . . . . 0.0 115.402 -170.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.91 -35.62 98.29 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.129 2.553 . . . . 0.0 112.224 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.5 tp -78.79 -46.41 18.86 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.917 0.78 . . . . 0.0 109.308 175.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -49.61 -49.91 44.97 Favored 'General case' 0 C--N 1.339 0.14 0 C-N-CA 123.139 0.576 . . . . 0.0 110.761 -177.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -59.15 -39.23 81.81 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 111.399 0.148 . . . . 0.0 111.399 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.14 -53.07 27.84 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.901 -0.499 . . . . 0.0 110.766 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 36.7 pt -57.59 -43.93 84.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 176.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.07 -47.37 15.11 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 125.492 1.52 . . . . 0.0 112.462 170.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -60.69 3.17 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.85 0.86 . . . . 0.0 110.225 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -51.85 -46.46 64.4 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 123.476 0.71 . . . . 0.0 110.109 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.466 HD11 ' HB1' ' A' ' 81' ' ' ALA . 62.8 mt -59.48 -51.76 68.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 122.607 0.363 . . . . 0.0 110.381 -178.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.55 -54.63 34.76 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.0 mt -49.09 -42.44 14.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 123.166 0.586 . . . . 0.0 110.656 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -66.13 -66.33 0.56 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.659 0.742 . . . . 0.0 111.433 176.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -66.25 -24.22 66.55 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -166.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -52.48 -46.56 66.6 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.886 0.766 . . . . 0.0 109.794 169.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -80.51 -40.34 26.23 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 118.708 -0.663 . . . . 0.0 110.191 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.9 m -50.17 -41.74 49.79 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.989 0.813 . . . . 0.0 110.879 169.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -43.72 -35.24 3.04 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.226 0.917 . . . . 0.0 113.582 173.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -58.5 -48.59 80.31 Favored 'General case' 0 C--N 1.34 0.196 0 CA-C-N 118.591 1.195 . . . . 0.0 110.187 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -82.35 52.83 2.13 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.648 0.737 . . . . 0.0 109.174 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.48 -65.04 1.73 Allowed Glycine 0 CA--C 1.528 0.878 0 C-N-CA 124.967 1.27 . . . . 0.0 112.479 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -166.51 -113.8 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 -173.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 83.6 mttt 69.76 156.41 0.14 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.205 1.802 . . . . 0.0 113.097 171.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -96.4 33.45 1.79 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.407 0.683 . . . . 0.0 109.54 170.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 40.9 p -128.85 164.37 23.23 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.634 1.574 . . . . 0.0 108.923 -177.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 tt -149.85 119.94 7.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.2 p -77.91 167.38 21.59 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.634 0.652 . . . . 0.0 112.184 -169.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -58.07 -56.2 25.11 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -168.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -80.21 -24.52 40.17 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 121.251 -0.906 . . . . 0.0 110.827 -178.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -60.06 -44.23 94.85 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.458 0.703 . . . . 0.0 109.343 170.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.518 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.9 tm? -56.61 -50.18 72.74 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 171.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -53.87 -45.0 70.89 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.453 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -56.74 -48.83 76.93 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.049 0.54 . . . . 0.0 110.994 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 tt -49.14 -53.62 20.05 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 123.189 0.596 . . . . 0.0 109.492 174.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.7 mt -60.68 -53.78 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 O-C-N 121.741 -0.599 . . . . 0.0 110.327 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -49.62 -47.32 49.79 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 119.004 -0.522 . . . . 0.0 110.709 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -79.76 -50.69 10.2 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.5 -177.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -75.25 -42.99 53.9 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.235 0.47 . . . . 0.0 111.811 -169.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -77.85 -24.24 48.66 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 174.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.6 m 62.84 55.73 2.01 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.809 0.814 . . . . 0.0 109.519 171.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 19.5 tt -70.08 81.6 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 123.491 0.717 . . . . 0.0 111.274 -172.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -35.44 115.03 0.19 Allowed Glycine 0 CA--C 1.53 0.984 0 C-N-CA 126.181 1.848 . . . . 0.0 112.551 175.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m 58.0 19.53 5.99 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.987 1.315 . . . . 0.0 113.943 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 60.0 mttp 53.93 28.22 8.28 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.727 1.211 . . . . 0.0 112.957 171.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 93.0 mt -56.3 -45.38 80.24 Favored 'General case' 0 N--CA 1.461 0.106 0 O-C-N 121.391 -0.818 . . . . 0.0 112.196 -169.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -96.23 26.62 4.15 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.023 0.529 . . . . 0.0 111.559 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -53.64 -39.78 65.29 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.975 0.807 . . . . 0.0 112.461 -175.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.28 -47.75 65.7 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.271 0.557 . . . . 0.0 110.942 174.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -63.18 -43.65 97.64 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 23.3 mm -56.32 -45.79 81.49 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.371 176.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.273 12.5 m -69.65 -35.18 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-N 120.505 1.502 . . . . 0.0 112.732 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -58.92 -51.84 68.33 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.601 1.092 . . . . 0.0 110.017 171.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.64 -45.13 73.71 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.442 1.097 . . . . 0.0 110.936 176.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -61.63 -44.74 96.41 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.786 0.835 . . . . 0.0 109.266 177.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -54.64 -50.38 68.28 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 175.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -56.82 -52.87 63.39 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.824 -0.548 . . . . 0.0 110.84 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.39 -58.85 5.4 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.621 0.769 . . . . 0.0 111.137 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.48 -30.87 64.92 Favored 'General case' 0 N--CA 1.457 -0.081 0 O-C-N 121.82 -0.55 . . . . 0.0 111.697 -172.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -59.27 -33.93 71.65 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -47.53 -35.27 8.68 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.693 0.797 . . . . 0.0 112.249 176.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 tpmt? -136.0 59.47 1.71 Allowed 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 167.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.262 3.8 p30 56.48 -65.27 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 128.209 2.604 . . . . 0.0 115.707 172.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -127.05 -2.4 6.45 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 125.932 1.693 . . . . 0.0 111.852 -176.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -138.8 167.18 22.57 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.218 0.607 . . . . 0.0 110.064 177.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 t -109.77 126.82 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 N-CA-C 105.412 -2.07 . . . . 0.0 105.412 169.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -83.79 159.29 21.46 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.196 0.907 . . . . 0.0 108.93 168.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -51.27 -49.88 60.34 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -176.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -58.99 -46.82 87.21 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.49 -0.756 . . . . 0.0 110.176 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -59.33 -45.79 90.36 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 123.657 0.783 . . . . 0.0 109.909 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -53.96 -52.96 59.0 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.236 0.614 . . . . 0.0 110.492 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.5 mm -57.83 -52.9 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 118.102 0.41 . . . . 0.0 110.215 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 78.3 m -49.9 -49.99 47.64 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.777 0.431 . . . . 0.0 110.947 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -59.17 -44.53 92.16 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.986 0.514 . . . . 0.0 110.669 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 75.3 mt -59.46 -35.44 74.07 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.093 0.86 . . . . 0.0 110.977 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.8 -47.68 87.07 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 169.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.9 -46.01 78.49 Favored 'General case' 0 C--O 1.222 -0.345 0 O-C-N 121.952 -0.734 . . . . 0.0 110.288 174.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 7.5 tp -60.39 -42.8 96.65 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.179 0.991 . . . . 0.0 110.819 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.81 -48.63 69.67 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.83 -0.544 . . . . 0.0 109.982 171.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 31.0 ttp -65.16 -35.39 80.95 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 5.5 mm -58.74 -50.24 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 C-N-CA 123.79 0.836 . . . . 0.0 108.946 173.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -56.68 -43.09 80.1 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 177.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.5 t30 70.49 -61.54 0.46 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.192 1.797 . . . . 0.0 113.146 168.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -49.32 -44.49 44.37 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.387 1.075 . . . . 0.0 109.709 176.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.14 -43.06 6.78 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.736 1.214 . . . . 0.0 112.31 173.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.36 -34.96 79.55 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.613 0.365 . . . . 0.0 110.917 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -73.25 -44.61 59.1 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.238 0 CA-C-O 117.091 -1.949 . . . . 0.0 110.222 174.893 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.0 mmm . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 120.975 0.416 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.23 37.04 0.25 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.863 0.865 . . . . 0.0 112.992 -172.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -46.57 -49.66 44.75 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -169.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.06 -44.85 42.98 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.72 2.28 . . . . 0.0 112.499 -178.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.2 tp -74.67 -45.93 41.35 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -50.71 -48.79 58.67 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.512 0.725 . . . . 0.0 110.703 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -62.3 -38.92 91.24 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.295 0.498 . . . . 0.0 111.433 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.38 -53.47 35.61 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.569 -0.707 . . . . 0.0 111.327 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.0 pt -58.18 -42.17 82.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 175.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.2 -44.38 9.88 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 125.481 1.515 . . . . 0.0 112.219 169.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -61.46 2.57 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.017 0.908 . . . . 0.0 110.188 177.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -51.59 -46.92 63.68 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.666 0.786 . . . . 0.0 110.317 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.518 HD11 ' HB1' ' B' ' 81' ' ' ALA . 63.4 mt -61.14 -51.15 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.119 0.968 . . . . 0.0 109.683 -178.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.57 -55.47 29.67 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mt -49.12 -51.99 11.72 Favored 'Isoleucine or valine' 0 C--N 1.34 0.164 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -59.52 -67.07 0.41 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.346 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -27.58 68.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -168.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -56.86 -50.65 71.82 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 170.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -64.2 -44.88 90.6 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-O 118.827 -0.606 . . . . 0.0 110.665 175.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.8 m -48.81 -44.16 38.95 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 118.672 0.669 . . . . 0.0 111.185 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -40.04 -34.82 0.6 Allowed Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.803 1.192 . . . . 0.0 113.941 176.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -56.71 -43.81 80.93 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.006 0.903 . . . . 0.0 111.898 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -89.55 -39.45 13.29 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.569 1.148 . . . . 0.0 110.842 177.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.26 168.98 24.96 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 177.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.49 63.25 1.47 Allowed 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.807 -0.82 . . . . 0.0 109.81 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -120.42 147.23 45.35 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 126.162 1.785 . . . . 0.0 107.864 -174.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -78.18 48.78 0.77 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 122.957 0.503 . . . . 0.0 110.891 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.9 p -144.38 156.54 44.27 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.074 1.349 . . . . 0.0 109.912 -172.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.0 mt -132.33 135.74 46.39 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 167.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -75.82 149.48 37.88 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 119.832 1.196 . . . . 0.0 108.952 172.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -50.64 -47.76 58.4 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.542 0.687 . . . . 0.0 112.847 -169.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 tmpt? -71.04 -29.41 65.31 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.387 -0.821 . . . . 0.0 111.235 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -66.47 -41.94 88.26 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.262 -0.899 . . . . 0.0 109.127 175.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.509 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.0 tm? -57.05 -49.35 76.11 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 169.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -52.95 -44.33 67.01 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 119.42 -0.912 . . . . 0.0 110.464 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.41 -49.39 74.67 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.59 0.632 . . . . 0.0 111.101 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 tt -50.26 -52.07 39.37 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 124.082 0.953 . . . . 0.0 109.712 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.8 mt -63.72 -47.44 91.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.278 0 CA-C-O 118.912 -0.566 . . . . 0.0 111.031 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -53.63 -43.76 68.98 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 119.134 0.879 . . . . 0.0 110.373 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -68.61 -51.04 46.7 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.98 0.355 . . . . 0.0 111.889 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -74.46 -63.2 1.29 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 122.166 0.984 . . . . 0.0 109.076 -174.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.6 mt -94.6 78.92 3.78 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 124.625 1.17 . . . . 0.0 108.091 -173.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 p -71.69 66.08 0.51 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.392 1.077 . . . . 0.0 111.784 -175.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 pp -70.6 80.12 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-O 121.657 0.741 . . . . 0.0 109.126 169.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.49 -30.98 4.73 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 124.997 1.284 . . . . 0.0 112.304 173.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 p -67.77 62.71 0.08 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.988 1.715 . . . . 0.0 110.414 169.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -64.31 -5.03 4.35 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -173.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.424 ' H ' HD22 ' A' ' 48' ' ' LEU . 3.1 mm? -54.7 -31.31 57.83 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.293 -0.879 . . . . 0.0 109.198 167.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -63.02 -5.79 3.33 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 174.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -47.48 -37.88 12.7 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 119.917 1.235 . . . . 0.0 111.912 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.68 -50.36 55.11 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.498 0.59 . . . . 0.0 111.529 172.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -60.97 -46.86 89.04 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 33.9 mm -56.57 -41.74 74.12 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.041 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.2 m -75.04 -31.89 25.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 120.343 1.429 . . . . 0.0 112.555 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.29 -51.84 68.24 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.476 1.035 . . . . 0.0 109.235 169.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -54.76 -45.4 74.19 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.659 0.784 . . . . 0.0 110.911 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.5 ttp -57.25 -47.4 81.48 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 124.31 1.044 . . . . 0.0 109.135 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -56.72 -49.05 76.34 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.074 0.397 . . . . 0.0 109.991 175.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -60.06 -34.16 73.04 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.6 mt -71.83 -59.23 2.85 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.414 0.685 . . . . 0.0 110.382 172.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.19 -15.55 63.77 Favored 'General case' 0 C--O 1.227 -0.08 0 C-N-CA 124.557 1.143 . . . . 0.0 113.038 -172.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.2 ttp85 -34.16 -39.48 0.08 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.122 1.769 . . . . 0.0 111.059 168.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -30.44 -57.5 0.2 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.777 1.231 . . . . 0.0 113.985 168.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.2 ptpp? -152.71 32.97 0.49 Allowed 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 173.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.306 1.6 p30 61.63 -56.98 0.11 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 128.514 2.726 . . . . 0.0 114.679 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.1 -42.09 73.15 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 123.75 0.82 . . . . 0.0 109.551 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -127.69 155.36 44.08 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.154 0.982 . . . . 0.0 112.912 -173.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 t -92.72 151.93 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 C-N-CA 129.11 2.964 . . . . 0.0 104.911 166.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -112.56 148.91 33.53 Favored 'General case' 0 CA--C 1.523 -0.078 0 C-N-CA 123.458 0.703 . . . . 0.0 109.163 169.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -42.93 -58.38 2.43 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.89 1.276 . . . . 0.0 114.108 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 tm0? -59.88 -42.72 94.39 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 121.539 -0.726 . . . . 0.0 109.267 -174.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -68.83 -35.02 76.45 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.856 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -56.64 -51.5 68.46 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.273 0.629 . . . . 0.0 110.12 170.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.2 mm -57.83 -51.15 73.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 118.55 0.614 . . . . 0.0 109.985 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.8 m -50.15 -50.09 50.02 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.502 0.668 . . . . 0.0 110.699 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -62.95 -43.97 97.34 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 123.058 0.543 . . . . 0.0 110.621 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.1 mt -56.71 -36.27 69.49 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.136 0.88 . . . . 0.0 110.157 172.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.54 -51.12 59.73 Favored Glycine 0 CA--C 1.526 0.749 0 O-C-N 121.839 -0.538 . . . . 0.0 111.812 169.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.56 -45.09 77.32 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.919 -0.753 . . . . 0.0 111.082 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 tp -56.47 -48.79 76.38 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.704 1.202 . . . . 0.0 110.043 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.419 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -57.57 -44.84 85.61 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.701 0.8 . . . . 0.0 110.626 176.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 23.3 ttt -64.53 -40.29 95.34 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 122.201 -0.312 . . . . 0.0 111.38 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.7 mt -60.8 -41.85 90.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 123.82 0.848 . . . . 0.0 109.214 174.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -72.36 55.71 0.34 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.145 0.578 . . . . 0.0 110.082 169.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -55.97 -34.74 66.01 Favored 'General case' 0 N--CA 1.456 -0.133 0 O-C-N 121.406 -0.809 . . . . 0.0 112.106 -169.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -47.41 -45.32 25.31 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.928 0.891 . . . . 0.0 111.385 172.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.97 97.2 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 123.011 0.524 . . . . 0.0 110.729 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.4 mt -61.91 -52.31 64.61 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -58.3 -39.04 78.29 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.577 0.751 . . . . 0.0 111.374 -176.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.137 0 CA-C-O 117.208 -1.885 . . . . 0.0 110.668 175.611 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 36.4 ttm . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.48 -31.68 42.39 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.028 0.442 . . . . 0.0 111.87 -169.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -44.73 -52.42 18.4 Favored Pre-proline 0 N--CA 1.45 -0.447 0 C-N-CA 125.45 1.5 . . . . 0.0 113.915 -171.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -52.83 -54.53 4.95 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 123.446 2.764 . . . . 0.0 112.364 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 51.9 tp -66.08 -45.75 80.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.062 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -53.22 -50.73 64.12 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 122.381 0.272 . . . . 0.0 110.821 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -62.27 -38.92 91.14 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 122.171 -0.331 . . . . 0.0 110.77 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.69 -54.39 36.36 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.923 -0.486 . . . . 0.0 111.71 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 30.3 pt -57.93 -42.12 81.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 118.78 0.718 . . . . 0.0 109.095 176.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.92 -45.56 19.28 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 125.147 1.356 . . . . 0.0 112.522 169.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.55 -58.66 7.35 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.234 1.017 . . . . 0.0 109.708 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -52.68 -46.6 67.33 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.504 0.722 . . . . 0.0 110.109 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.419 HD11 ' HB1' ' A' ' 81' ' ' ALA . 62.2 mt -60.83 -51.1 77.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 122.806 0.443 . . . . 0.0 110.131 -178.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.46 -55.61 27.72 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -49.57 -43.57 18.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 C-N-CA 123.2 0.6 . . . . 0.0 110.286 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -64.47 -62.8 1.37 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.851 0.75 . . . . 0.0 111.22 176.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -64.9 -26.42 68.31 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.861 1.059 . . . . 0.0 113.861 -168.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -51.76 -45.6 63.78 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.379 0.536 . . . . 0.0 110.23 169.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -81.14 -43.83 18.8 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 118.943 -0.551 . . . . 0.0 110.849 -177.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.7 p -57.17 -33.22 67.23 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 119.408 -0.917 . . . . 0.0 110.816 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -39.49 -49.11 3.05 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.989 1.281 . . . . 0.0 111.594 168.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -53.8 -42.09 67.98 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 123.352 0.661 . . . . 0.0 111.19 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -98.9 29.45 3.8 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.254 0.622 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.08 31.49 10.83 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 121.778 -0.576 . . . . 0.0 113.651 171.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 33.1 t70 58.26 40.52 24.58 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.54 1.136 . . . . 0.0 112.457 169.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -82.77 175.14 10.35 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.396 0.678 . . . . 0.0 109.85 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -91.98 39.12 1.01 Allowed 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.437 -0.789 . . . . 0.0 109.662 170.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 41.5 p -141.29 156.52 45.85 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.329 1.452 . . . . 0.0 109.396 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 90.5 mt -130.44 134.42 47.09 Favored 'General case' 0 C--O 1.225 -0.208 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 167.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.5 p -76.16 151.9 36.82 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.701 1.137 . . . . 0.0 108.07 173.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -54.72 -41.96 70.96 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -167.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -78.26 -26.79 47.36 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.177 -0.952 . . . . 0.0 111.406 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -65.18 -38.3 90.1 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.21 -0.931 . . . . 0.0 109.419 170.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.504 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.9 tm? -57.22 -48.61 78.37 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 170.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -53.51 -46.84 70.21 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.773 1.17 . . . . 0.0 111.261 174.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -50.81 -51.02 54.95 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.535 0.734 . . . . 0.0 110.253 176.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tt -52.9 -53.49 48.42 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 124.056 0.942 . . . . 0.0 109.715 175.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 56.6 mt -59.91 -55.37 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 O-C-N 122.211 -0.306 . . . . 0.0 110.356 -176.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -56.47 -38.41 71.66 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 119.049 -0.5 . . . . 0.0 111.275 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -80.07 -54.54 5.69 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.516 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -81.23 -47.33 13.53 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.586 0.754 . . . . 0.0 111.55 -169.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 8.9 mp -88.95 66.51 7.91 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.0 61.64 0.27 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.453 1.501 . . . . 0.0 113.318 -168.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 21.9 pt -67.32 128.41 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 O-C-N 121.054 -1.029 . . . . 0.0 109.492 174.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.87 -35.05 91.44 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.426 -1.069 . . . . 0.0 110.426 174.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.5 p -73.98 62.66 0.89 Allowed 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 126.579 1.951 . . . . 0.0 111.415 -177.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -53.56 -25.07 15.51 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.561 1.145 . . . . 0.0 112.477 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 81.5 mt -47.5 -31.03 3.89 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.239 1.016 . . . . 0.0 112.32 171.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -67.3 1.23 2.28 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -46.21 -38.99 9.09 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.895 1.225 . . . . 0.0 112.598 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.64 -47.68 70.07 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.335 0.588 . . . . 0.0 111.43 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.45 -43.28 94.73 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 28.4 mm -55.46 -44.5 76.21 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 118.299 -0.857 . . . . 0.0 111.218 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.251 7.9 m -67.12 -39.25 82.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 120.352 1.433 . . . . 0.0 112.119 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -59.12 -49.58 77.32 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.516 -0.74 . . . . 0.0 110.212 173.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tt -56.99 -44.57 82.86 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.985 0.914 . . . . 0.0 111.036 176.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -58.69 -43.77 90.08 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.364 1.066 . . . . 0.0 109.928 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -59.06 -49.83 76.41 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.253 0.479 . . . . 0.0 109.846 173.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -59.08 -33.66 71.07 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.46 -58.14 4.03 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.383 0.673 . . . . 0.0 109.873 172.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -64.81 -22.03 66.9 Favored 'General case' 0 C--O 1.228 -0.044 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -172.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -27.5 -46.8 0.03 OUTLIER 'General case' 0 C--N 1.341 0.212 0 C-N-CA 127.015 2.126 . . . . 0.0 111.179 169.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -24.19 -63.76 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.128 1.771 . . . . 0.0 113.58 168.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -145.95 28.58 1.13 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.163 0.985 . . . . 0.0 111.51 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.286 3.1 p30 58.13 -60.67 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 128.736 2.814 . . . . 0.0 114.923 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -63.41 -34.01 76.79 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.011 1.324 . . . . 0.0 111.03 176.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -149.89 154.81 38.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -167.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.1 152.04 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 127.732 2.413 . . . . 0.0 107.241 169.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -113.09 150.62 31.83 Favored 'General case' 0 CA--C 1.523 -0.066 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 169.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -43.38 -55.22 4.23 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -63.94 -41.86 97.49 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.325 -0.859 . . . . 0.0 109.824 -174.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -64.22 -38.32 90.64 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 122.316 -0.24 . . . . 0.0 111.179 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -55.06 -52.84 61.95 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.253 0.621 . . . . 0.0 109.83 172.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 15.7 mm -60.47 -48.62 87.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-N 118.686 0.676 . . . . 0.0 110.474 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 34.7 m -48.82 -51.93 26.82 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.957 0.903 . . . . 0.0 110.053 177.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -61.41 -47.15 87.11 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 123.529 0.732 . . . . 0.0 110.485 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 74.4 mt -54.78 -34.0 62.09 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 119.039 0.836 . . . . 0.0 110.852 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.17 -51.01 58.57 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 169.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.94 -49.12 79.03 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.039 -0.683 . . . . 0.0 110.789 176.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 tp -51.02 -50.42 58.56 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.58 1.152 . . . . 0.0 110.147 177.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.518 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -58.9 -47.36 85.27 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.708 0.803 . . . . 0.0 110.66 178.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 26.0 ttp -62.82 -37.97 88.89 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 122.102 -0.374 . . . . 0.0 111.251 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.22 -40.84 90.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.677 1.191 . . . . 0.0 109.777 174.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 15.6 m-30 -72.88 53.6 0.35 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.873 0.76 . . . . 0.0 109.671 169.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -59.79 -28.84 67.77 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -167.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -46.18 -41.77 13.14 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.627 0.771 . . . . 0.0 110.603 171.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.61 -35.95 79.35 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.628 0.371 . . . . 0.0 111.579 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 16.8 mt -73.1 -51.86 16.44 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 175.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -54.61 -46.16 73.8 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 122.335 -0.228 . . . . 0.0 111.58 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.225 0 CA-C-O 117.498 -1.724 . . . . 0.0 111.219 -174.797 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.3 mtp . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.43 -5.6 34.03 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.373 0.669 . . . . 0.0 112.658 173.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.27 -46.51 3.89 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 126.712 2.005 . . . . 0.0 114.476 -178.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -59.25 -39.3 79.39 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.779 2.319 . . . . 0.0 112.811 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.9 tp -80.27 -45.41 17.97 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -50.07 -47.05 53.8 Favored 'General case' 0 C--O 1.226 -0.143 0 C-N-CA 123.779 0.832 . . . . 0.0 110.646 -177.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -61.9 -37.77 85.87 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.779 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.17 -52.93 23.05 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.739 -0.601 . . . . 0.0 110.67 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.7 pt -58.47 -41.46 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 119.74 -0.784 . . . . 0.0 109.101 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.48 -46.35 17.23 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.415 1.483 . . . . 0.0 112.044 170.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -59.58 4.8 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.205 1.002 . . . . 0.0 110.044 177.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -51.42 -49.27 61.97 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 123.293 0.637 . . . . 0.0 110.245 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.29 -47.36 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 123.365 0.666 . . . . 0.0 109.624 -176.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.05 -54.13 40.59 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 124.949 1.262 . . . . 0.0 110.318 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 mt -50.44 -56.62 3.67 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -51.37 -58.36 6.44 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.05 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -67.09 -30.56 70.63 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 118.88 -0.581 . . . . 0.0 112.435 -172.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -56.71 -46.86 81.0 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.693 0.679 . . . . 0.0 109.84 170.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -66.96 -45.51 77.52 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 118.317 -0.849 . . . . 0.0 111.379 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.5 m -49.31 -46.84 47.12 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 119.651 1.114 . . . . 0.0 111.056 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.24 -31.87 2.38 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.13 0.872 . . . . 0.0 114.053 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -58.58 -38.29 77.59 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.385 1.074 . . . . 0.0 111.793 177.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -98.43 -45.25 6.2 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.575 1.15 . . . . 0.0 111.001 177.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.05 163.23 19.18 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 108.975 -1.65 . . . . 0.0 108.975 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -77.55 49.29 0.72 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.538 -0.978 . . . . 0.0 111.973 -177.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -96.66 148.05 23.27 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 106.814 -1.551 . . . . 0.0 106.814 171.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -78.91 57.78 2.23 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 122.011 0.91 . . . . 0.0 109.693 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.8 m -156.23 155.81 33.02 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.261 1.424 . . . . 0.0 109.189 -169.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.2 mt -129.61 157.75 41.21 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 125.47 1.508 . . . . 0.0 107.355 167.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 m -97.14 176.62 5.87 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.282 0.633 . . . . 0.0 110.124 169.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.09 -65.8 0.59 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.032 1.333 . . . . 0.0 112.059 -171.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -36.81 83.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.392 -177.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -58.46 -45.74 87.99 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.8 0.44 . . . . 0.0 111.142 176.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.525 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.6 tm? -57.19 -49.35 76.25 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -57.98 -38.13 75.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 118.9 -1.12 . . . . 0.0 111.028 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -59.52 -49.69 76.82 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.993 0.917 . . . . 0.0 110.279 175.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 tt -46.31 -54.44 8.95 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.661 0.784 . . . . 0.0 109.922 170.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.9 mt -62.12 -50.32 80.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 O-C-N 121.735 -0.603 . . . . 0.0 111.73 -177.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -61.2 -37.25 82.32 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.558 -0.713 . . . . 0.0 111.113 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -79.72 -46.8 16.39 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.774 0.715 . . . . 0.0 111.466 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -80.78 -48.72 12.08 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.091 0.556 . . . . 0.0 112.051 -174.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.4 mt -85.89 -51.01 6.66 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.1 m 62.59 66.65 0.76 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.839 0.828 . . . . 0.0 111.113 177.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 pt -66.87 81.16 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.556 173.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -40.09 -43.94 2.73 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.496 1.522 . . . . 0.0 112.674 176.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.3 m -68.48 66.0 0.12 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.386 1.074 . . . . 0.0 110.946 169.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -61.96 -7.21 3.53 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -169.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.434 ' H ' HD22 ' A' ' 48' ' ' LEU . 3.1 mm? -54.1 -37.33 64.15 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.841 -1.162 . . . . 0.0 108.903 167.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -62.82 -9.1 8.31 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.7 0.8 . . . . 0.0 112.938 177.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -48.86 -36.19 16.43 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.809 1.186 . . . . 0.0 110.786 170.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.93 -46.77 74.97 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 122.681 0.392 . . . . 0.0 111.254 173.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.99 -45.44 92.41 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.9 mm -56.62 -42.97 77.69 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.244 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.774 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.6 m -65.81 -37.01 78.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 120.481 1.491 . . . . 0.0 111.97 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -62.81 -50.99 68.8 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.25 0.932 . . . . 0.0 110.019 173.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.08 -43.46 66.76 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.227 1.011 . . . . 0.0 111.004 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -63.77 -47.56 80.44 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.572 1.149 . . . . 0.0 109.392 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -51.73 -53.04 43.81 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -54.18 -53.15 57.31 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.904 0.481 . . . . 0.0 110.54 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mt -49.44 -55.86 11.7 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.058 0.943 . . . . 0.0 110.989 177.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.17 -32.9 61.39 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.781 -0.575 . . . . 0.0 112.113 -173.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.0 ttm-85 -59.13 -34.54 72.17 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 123.113 0.565 . . . . 0.0 111.403 -169.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -49.48 -37.66 27.11 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 174.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -119.69 51.6 1.16 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.203 1.001 . . . . 0.0 109.07 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.273 4.0 p30 59.3 -58.98 0.05 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 129.307 3.043 . . . . 0.0 116.419 169.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -133.98 -21.68 1.87 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.414 1.486 . . . . 0.0 112.042 -172.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -120.12 152.62 37.35 Favored 'General case' 0 C--O 1.225 -0.191 0 C-N-CA 123.845 0.858 . . . . 0.0 109.17 -172.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.0 t -96.11 106.41 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -78.39 152.91 32.01 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.745 -0.597 . . . . 0.0 109.581 176.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -46.69 -55.23 8.1 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -64.48 -39.39 93.71 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.432 -0.793 . . . . 0.0 109.682 -174.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -57.47 -48.84 78.11 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.999 0.519 . . . . 0.0 110.166 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -51.68 -52.56 47.19 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.948 0.499 . . . . 0.0 110.643 176.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.5 mm -57.23 -52.87 51.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 118.306 0.503 . . . . 0.0 110.207 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.6 m -50.04 -52.04 37.44 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.629 0.772 . . . . 0.0 110.469 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -62.68 -43.4 98.89 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 123.525 0.73 . . . . 0.0 110.805 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.7 mt -55.82 -33.09 64.13 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.196 0.907 . . . . 0.0 110.227 173.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.81 -49.36 78.65 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 121.889 -0.507 . . . . 0.0 111.978 169.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.51 -47.34 82.22 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 117.782 0.791 . . . . 0.0 110.96 175.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.0 tp -55.05 -47.76 74.36 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.79 1.236 . . . . 0.0 109.717 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.481 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -58.85 -45.88 89.05 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.473 0.709 . . . . 0.0 110.96 176.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 57.5 ttm -60.06 -43.59 95.32 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 118.385 0.539 . . . . 0.0 110.568 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 83.1 mt -56.19 -43.26 75.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -72.21 51.62 0.24 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.661 0.784 . . . . 0.0 111.844 169.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -45.98 -32.56 2.82 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 127.635 2.374 . . . . 0.0 112.366 172.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.2 mp0 -58.96 -42.26 89.49 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.515 0.726 . . . . 0.0 110.102 176.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.11 -41.92 85.39 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.538 0.735 . . . . 0.0 110.501 177.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -54.32 -56.99 12.98 Favored 'General case' 0 C--N 1.341 0.202 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 174.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -59.86 -53.82 53.47 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 122.124 -0.36 . . . . 0.0 110.787 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.203 0 CA-C-O 117.356 -1.802 . . . . 0.0 113.02 174.164 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 43.4 ttm . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.523 0.202 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 75.34 -50.13 0.64 Allowed 'General case' 0 C--O 1.232 0.157 0 C-N-CA 126.796 2.039 . . . . 0.0 112.005 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.74 -49.66 5.49 Favored Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 124.906 1.283 . . . . 0.0 113.802 -176.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.0 -40.87 82.29 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.87 2.38 . . . . 0.0 113.113 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 53.1 tp -79.73 -44.54 20.57 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -50.48 -47.27 57.15 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 123.668 0.787 . . . . 0.0 110.659 -177.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -60.99 -38.91 87.67 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.228 0.467 . . . . 0.0 111.522 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.56 -53.95 19.74 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.744 -0.598 . . . . 0.0 110.843 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 46.4 pt -58.3 -41.35 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 119.781 -0.767 . . . . 0.0 109.156 175.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.67 -44.42 17.06 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 125.95 1.738 . . . . 0.0 112.249 170.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -60.19 4.01 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 118.188 0.994 . . . . 0.0 109.909 178.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -53.38 -46.29 69.59 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 123.649 0.78 . . . . 0.0 110.632 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.481 HD11 ' HB1' ' A' ' 81' ' ' ALA . 54.4 mt -60.84 -51.54 72.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 123.895 0.878 . . . . 0.0 109.536 -177.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.62 -57.85 16.77 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mt -46.54 -50.42 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 123.49 0.716 . . . . 0.0 109.939 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -64.82 -66.59 0.52 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.317 0.58 . . . . 0.0 111.857 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -69.82 -25.57 63.83 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -167.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -45.34 91.97 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 170.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -63.13 -52.52 62.21 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 118.4 -0.81 . . . . 0.0 110.999 173.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -46.07 -47.81 17.1 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.792 0.724 . . . . 0.0 110.918 177.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -40.67 -33.88 0.66 Allowed Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.885 1.707 . . . . 0.0 114.383 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -51.08 -46.28 61.73 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.333 1.066 . . . . 0.0 111.221 174.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -94.99 -38.23 10.76 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.139 0.976 . . . . 0.0 111.289 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.8 154.88 8.93 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 109.266 -1.533 . . . . 0.0 109.266 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -77.39 57.22 1.48 Allowed 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.562 -0.964 . . . . 0.0 110.909 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -106.48 150.69 25.84 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.815 1.646 . . . . 0.0 107.834 176.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -79.44 52.01 1.31 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.253 0.621 . . . . 0.0 111.067 -173.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 13.1 p -147.24 148.99 32.04 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 126.375 1.87 . . . . 0.0 110.019 -169.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 97.2 mt -129.09 151.04 50.21 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 166.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 27.2 p -89.23 160.39 16.96 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 169.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -62.54 -44.21 96.92 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.011 -1.055 . . . . 0.0 112.919 -169.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -74.71 -32.9 62.28 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 120.712 -1.242 . . . . 0.0 110.615 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -58.33 -40.63 82.61 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.438 -0.789 . . . . 0.0 110.149 170.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.467 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.8 tm? -57.16 -44.76 83.77 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.735 -0.603 . . . . 0.0 109.863 171.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -56.49 -46.99 80.21 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 120.414 -1.429 . . . . 0.0 110.879 172.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -54.69 -38.28 66.83 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.464 0.706 . . . . 0.0 111.22 177.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 tt -60.24 -57.87 10.93 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 123.788 0.835 . . . . 0.0 109.783 170.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 44.2 mt -56.08 -50.73 68.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 O-C-N 122.118 -0.364 . . . . 0.0 111.557 -174.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -59.23 -31.52 69.13 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.183 0.447 . . . . 0.0 111.814 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -80.95 -58.13 3.23 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.075 0.464 . . . . 0.0 111.223 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -80.54 -42.93 21.52 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.096 0.959 . . . . 0.0 112.476 -168.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.1 mt -89.47 -41.15 12.23 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . 0.283 0.7 OUTLIER 46.68 63.86 1.75 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.053 1.741 . . . . 0.0 111.691 171.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.77 -21.64 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 114.454 -1.248 . . . . 0.0 113.136 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.21 -59.55 3.97 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.2 m -64.04 72.74 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.606 1.962 . . . . 0.0 112.526 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -52.84 -25.46 11.58 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.184 0.994 . . . . 0.0 112.912 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 83.1 mt -47.62 -35.81 9.91 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.566 0.746 . . . . 0.0 111.968 171.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -74.97 5.18 5.43 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.755 0.822 . . . . 0.0 112.802 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -48.25 -39.16 20.49 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 119.477 1.035 . . . . 0.0 112.168 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.46 -49.25 55.7 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.277 0.56 . . . . 0.0 111.289 173.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.87 -42.31 97.56 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 33.4 mm -56.97 -45.41 83.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 118.456 -0.783 . . . . 0.0 110.927 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.6 m -71.69 -31.83 43.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 120.196 1.362 . . . . 0.0 112.457 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -60.23 -51.82 67.92 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.641 1.11 . . . . 0.0 109.558 169.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 tt -55.49 -44.19 76.3 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.419 0.688 . . . . 0.0 110.889 176.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 39.4 ttp -56.26 -50.56 70.97 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.109 0.964 . . . . 0.0 109.439 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -55.08 -47.75 74.47 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.935 0.494 . . . . 0.0 110.21 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -58.43 -45.31 88.73 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 122.157 -0.339 . . . . 0.0 111.08 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.38 -56.72 18.01 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.39 0.676 . . . . 0.0 110.765 174.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -70.9 -15.87 62.64 Favored 'General case' 0 C--N 1.334 -0.081 0 C-N-CA 124.029 0.931 . . . . 0.0 113.085 -171.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -34.15 -47.35 0.28 Allowed 'General case' 0 C--N 1.342 0.255 0 C-N-CA 125.286 1.434 . . . . 0.0 110.277 168.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -28.99 -55.53 0.13 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 126.421 1.889 . . . . 0.0 114.362 171.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -158.3 50.38 0.4 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.505 0.722 . . . . 0.0 109.904 -176.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 p30 50.84 -70.17 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.376 2.67 . . . . 0.0 115.112 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -84.82 -33.39 22.92 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.442 1.497 . . . . 0.0 110.396 176.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -108.54 144.62 35.96 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.53 1.132 . . . . 0.0 112.609 -170.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 21.2 t -110.97 111.32 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 127.66 2.384 . . . . 0.0 105.697 169.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -82.61 148.07 28.2 Favored 'General case' 0 C--O 1.232 0.171 0 O-C-N 121.558 -0.714 . . . . 0.0 109.182 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -45.47 -52.54 10.08 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.252 1.021 . . . . 0.0 112.974 -176.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -50.34 -51.67 43.62 Favored 'General case' 0 N--CA 1.457 -0.109 0 O-C-N 122.339 -0.226 . . . . 0.0 110.55 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -72.98 -27.95 62.11 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 119.195 -0.431 . . . . 0.0 111.833 -175.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.66 -49.77 75.39 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 167.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 19.6 mm -60.53 -51.79 68.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 O-C-N 122.009 -0.432 . . . . 0.0 110.629 177.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 10.5 m -48.59 -50.42 32.52 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.684 0.794 . . . . 0.0 110.264 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -60.69 -45.7 93.18 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 118.879 -0.582 . . . . 0.0 110.359 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 75.5 mt -57.35 -35.91 70.52 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.627 1.103 . . . . 0.0 110.918 174.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.99 -49.81 68.78 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 169.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.14 87.32 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 122.041 -0.682 . . . . 0.0 111.63 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 tp -58.06 -49.11 78.03 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.813 1.245 . . . . 0.0 109.081 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.96 -53.63 53.16 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.048 0.539 . . . . 0.0 109.776 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 48.5 ttp -54.32 -44.01 71.68 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.679 0.392 . . . . 0.0 111.353 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.59 -43.56 96.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 124.26 1.024 . . . . 0.0 109.898 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -54.36 -43.32 71.23 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.1 t30 69.22 -61.05 0.44 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 126.304 1.842 . . . . 0.0 113.917 167.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -51.32 -38.4 52.78 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.242 1.017 . . . . 0.0 109.691 175.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.12 -44.12 52.07 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.902 0.881 . . . . 0.0 112.064 172.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.24 -43.38 57.26 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.479 0.712 . . . . 0.0 109.785 -177.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -57.74 -43.02 85.09 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 175.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.251 0 CA-C-O 117.386 -1.786 . . . . 0.0 111.221 -178.944 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.2 mtt . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.29 -65.35 0.53 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.769 1.228 . . . . 0.0 111.53 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -57.71 16.89 Favored Pre-proline 0 N--CA 1.45 -0.444 0 CA-C-O 117.746 -1.121 . . . . 0.0 111.381 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -40.0 -51.75 3.01 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 124.092 3.194 . . . . 0.0 114.557 170.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.0 tp -64.61 -48.69 73.97 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 121.119 -0.988 . . . . 0.0 110.353 177.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -53.95 -47.33 71.4 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.896 0.478 . . . . 0.0 110.369 -177.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -63.63 -40.69 97.54 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.071 0.396 . . . . 0.0 111.068 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.54 -56.1 25.48 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.915 0.779 . . . . 0.0 111.738 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.3 pt -57.08 -42.79 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.61 -42.65 14.52 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 125.569 1.557 . . . . 0.0 112.907 170.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.85 -60.15 4.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.179 0.989 . . . . 0.0 109.248 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -51.36 -49.07 62.2 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.742 0.817 . . . . 0.0 110.029 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.4 mt -58.96 -50.93 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.982 -177.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.38 -53.8 42.87 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.1 mt -48.72 -51.64 11.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 123.079 0.552 . . . . 0.0 109.694 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -59.62 -53.1 61.94 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.262 0.553 . . . . 0.0 111.818 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -75.12 -22.8 57.96 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -169.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -58.09 -56.83 16.98 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.286 0.948 . . . . 0.0 108.802 169.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -64.18 -38.93 92.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.598 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.2 m -58.95 -53.59 56.69 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 173.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.02 -43.72 8.72 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 125.403 1.478 . . . . 0.0 112.502 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -48.15 -38.83 18.88 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.188 0.595 . . . . 0.0 112.169 175.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -114.49 36.26 3.86 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.726 1.61 . . . . 0.0 111.234 174.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.16 134.32 4.09 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.129 0.871 . . . . 0.0 111.762 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -74.82 62.07 1.06 Allowed 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.576 -0.955 . . . . 0.0 112.041 -175.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -99.06 147.88 24.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.521 1.528 . . . . 0.0 106.986 169.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -80.95 45.78 0.85 Allowed 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.554 -0.716 . . . . 0.0 111.417 -171.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.3 t -159.07 121.71 3.6 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.537 1.135 . . . . 0.0 109.097 -174.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.6 mt -91.53 146.85 23.46 Favored 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 123.782 0.833 . . . . 0.0 108.857 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.9 t -79.82 146.7 32.11 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 166.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -53.75 -39.73 65.57 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -169.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -34.72 69.3 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.374 -0.829 . . . . 0.0 111.06 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -62.73 -45.7 91.5 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 174.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.562 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.2 tm? -53.48 -45.53 69.64 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.892 169.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -55.74 -44.6 77.71 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 119.963 -1.711 . . . . 0.0 111.347 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -61.99 -33.73 74.86 Favored 'General case' 0 CA--C 1.535 0.365 0 O-C-N 121.998 -0.439 . . . . 0.0 111.324 176.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.55 -59.21 5.76 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.431 0.693 . . . . 0.0 110.193 169.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.518 HD11 HD11 ' A' ' 34' ' ' LEU . 72.8 mt -53.07 -48.26 53.37 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 CA-C-N 118.473 0.579 . . . . 0.0 110.268 -174.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -53.5 -38.51 63.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 119.504 -0.284 . . . . 0.0 111.561 -175.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -75.91 -59.92 2.54 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -43.84 -52.84 6.47 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.914 2.086 . . . . 0.0 112.033 -175.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.4 mt -100.8 16.43 25.1 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.018 0.927 . . . . 0.0 111.807 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 47.8 p 47.16 56.56 6.71 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.299 1.04 . . . . 0.0 111.563 173.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.7 tp -7.09 85.94 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 127.995 2.518 . . . . 0.0 114.657 -169.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.95 69.72 1.24 Allowed Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.942 0.782 . . . . 0.0 112.963 -171.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 m 92.87 121.55 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 128.37 2.668 . . . . 0.0 109.659 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -55.06 -30.53 59.8 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.28 0.632 . . . . 0.0 111.943 -178.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -52.04 -28.18 16.36 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.393 1.077 . . . . 0.0 112.221 175.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -69.9 -9.22 54.14 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 118.514 -0.755 . . . . 0.0 112.512 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -44.51 -46.35 9.74 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 119.801 1.182 . . . . 0.0 113.028 -177.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.1 -46.63 68.78 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.493 0.717 . . . . 0.0 111.131 175.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -66.28 -43.44 86.36 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.8 mm -53.47 -50.93 46.26 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 CA-C-O 118.737 -0.649 . . . . 0.0 109.581 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.266 18.5 m -68.49 -32.61 56.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 119.244 0.929 . . . . 0.0 112.79 -176.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -61.2 -50.32 73.61 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.612 1.096 . . . . 0.0 109.853 169.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.418 ' CD2' HD13 ' A' ' 38' ' ' ILE . 2.1 tt -58.58 -38.19 77.39 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.398 0.679 . . . . 0.0 111.357 177.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.7 ttp -60.34 -52.73 64.02 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 125.269 1.428 . . . . 0.0 109.157 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -50.64 -52.64 37.7 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -53.73 -52.16 61.02 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.652 0.381 . . . . 0.0 111.676 176.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mt -51.68 -56.27 14.68 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.61 0.764 . . . . 0.0 110.629 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -73.75 -25.62 60.26 Favored 'General case' 0 C--O 1.228 -0.054 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -172.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.7 ttm-85 -47.4 -44.02 24.03 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 123.691 0.797 . . . . 0.0 110.381 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -50.75 -29.34 11.19 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.699 1.2 . . . . 0.0 113.185 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -136.56 50.14 2.05 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 169.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 p30 57.05 -25.3 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 128.886 2.875 . . . . 0.0 118.692 168.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -170.23 -37.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 120.256 1.389 . . . . 0.0 110.967 -169.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -95.1 163.87 13.11 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 169.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.2 t -113.93 97.26 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 126.299 1.839 . . . . 0.0 106.586 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -78.7 144.09 35.62 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.67 0.272 . . . . 0.0 110.442 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -47.37 -54.39 11.34 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -169.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -54.54 -41.15 69.42 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.469 -0.769 . . . . 0.0 110.401 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -71.5 -36.74 71.21 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.914 0.886 . . . . 0.0 109.855 -176.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -54.5 -53.1 58.83 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.096 0.407 . . . . 0.0 109.918 169.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.7 mm -58.63 -48.88 84.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 O-C-N 122.248 -0.282 . . . . 0.0 110.282 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.9 m -50.68 -51.57 48.1 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.363 0.665 . . . . 0.0 110.338 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -59.62 -44.31 93.51 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.39 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.8 mt -57.91 -34.37 69.75 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.936 0.789 . . . . 0.0 111.314 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.26 -50.68 62.68 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 169.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.78 -42.77 80.03 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 122.163 -0.61 . . . . 0.0 110.862 174.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.59 -43.84 96.91 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.761 0.824 . . . . 0.0 110.19 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.428 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -58.36 -47.5 83.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.35 0.66 . . . . 0.0 110.453 173.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -41.41 75.25 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.742 -0.599 . . . . 0.0 110.534 175.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.93 -39.63 82.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 124.629 1.171 . . . . 0.0 111.561 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -51.6 -48.64 63.16 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 169.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 71.82 -59.19 0.56 Allowed 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 125.941 1.696 . . . . 0.0 113.785 167.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -50.35 -41.6 51.8 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.303 1.041 . . . . 0.0 110.364 176.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.75 -42.03 45.4 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.73 1.212 . . . . 0.0 112.092 174.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.89 -38.12 25.83 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 123.621 0.768 . . . . 0.0 109.966 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -56.38 -40.24 74.25 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.99 0.916 . . . . 0.0 110.45 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.277 0 CA-C-O 117.018 -1.99 . . . . 0.0 112.245 172.956 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.1 tpt . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.31 28.06 0.15 Allowed 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.816 0.846 . . . . 0.0 113.156 -170.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.72 -45.66 48.57 Favored Pre-proline 0 CA--C 1.535 0.387 0 C-N-CA 125.507 1.523 . . . . 0.0 114.072 -172.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -60.22 -40.95 55.13 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.259 1.973 . . . . 0.0 112.879 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 tp -80.32 -46.0 16.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.482 176.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -49.18 -45.91 44.78 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.687 0.795 . . . . 0.0 110.656 -175.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -60.15 -40.21 89.08 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.565 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.31 -55.13 13.17 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.873 -0.517 . . . . 0.0 110.747 -177.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 pt -58.49 -41.5 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.537 176.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.84 -44.96 25.03 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 125.165 1.364 . . . . 0.0 111.892 170.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.08 -60.16 4.01 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 117.846 0.823 . . . . 0.0 110.405 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -52.45 -46.16 66.36 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.615 0.766 . . . . 0.0 110.221 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.428 HD11 ' HB1' ' A' ' 81' ' ' ALA . 59.4 mt -60.13 -51.88 67.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.183 0.593 . . . . 0.0 110.076 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.94 -54.03 39.92 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 mt -49.53 -52.35 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -59.92 -63.5 1.28 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.351 0.596 . . . . 0.0 111.782 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -67.94 -20.89 65.11 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 119.113 -0.47 . . . . 0.0 112.175 -168.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -58.32 -52.6 64.91 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.797 0.726 . . . . 0.0 109.21 168.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -68.28 -33.76 74.94 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 118.911 -0.566 . . . . 0.0 111.24 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m -56.12 -61.55 2.31 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.27 168.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -43.72 -42.46 6.15 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 125.421 1.486 . . . . 0.0 112.481 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -48.98 -39.96 28.61 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -98.57 -48.62 4.92 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.985 0.914 . . . . 0.0 111.458 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -173.7 134.91 3.03 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 178.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -76.64 50.37 0.68 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.043 1.337 . . . . 0.0 113.042 -173.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -106.29 159.63 15.97 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 169.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -81.96 54.14 2.39 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 122.383 1.087 . . . . 0.0 110.884 -170.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.0 p -153.77 150.19 28.23 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 127.568 2.347 . . . . 0.0 106.672 -169.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -149.88 150.21 31.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 118.25 0.477 . . . . 0.0 110.444 168.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 87.1 p -78.37 160.98 27.5 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.124 0.488 . . . . 0.0 110.932 -169.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -59.17 -44.95 92.15 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -172.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -70.8 -33.33 70.62 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 120.938 -1.101 . . . . 0.0 110.357 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -62.28 -38.47 89.49 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.648 0.658 . . . . 0.0 109.915 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.495 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.2 tm? -57.97 -50.98 71.53 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 170.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -54.78 -42.41 71.71 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 119.24 -0.984 . . . . 0.0 110.678 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -57.97 -48.86 78.71 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.156 0.583 . . . . 0.0 110.645 175.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -50.16 -51.83 40.4 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 123.645 0.778 . . . . 0.0 109.428 174.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.9 mt -62.9 -59.38 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.101 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -56.03 -36.27 67.79 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 119.038 -0.506 . . . . 0.0 112.112 -175.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.36 -53.84 6.26 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 118.649 0.659 . . . . 0.0 110.603 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -79.15 -53.07 7.35 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 122.025 -0.422 . . . . 0.0 110.159 -171.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mp -85.89 67.84 10.15 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.6 61.71 0.1 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.829 1.652 . . . . 0.0 113.825 -168.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 pt -67.19 128.71 30.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 O-C-N 121.075 -1.015 . . . . 0.0 109.774 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.02 -28.63 66.24 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 173.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -73.76 65.15 0.99 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 126.153 1.781 . . . . 0.0 111.099 -176.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -58.32 -16.83 15.87 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.94 0.896 . . . . 0.0 113.153 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.435 HD22 ' H ' ' B' ' 48' ' ' LEU . 3.1 mm? -52.48 -28.0 18.57 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.386 0.675 . . . . 0.0 111.347 169.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -69.43 -6.34 29.63 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 176.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -45.35 -45.73 12.62 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 119.891 1.223 . . . . 0.0 113.003 -175.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.03 -47.5 65.0 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.714 0.806 . . . . 0.0 111.207 175.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -66.45 -41.85 88.47 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 35.0 mm -57.37 -46.05 85.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 118.473 -0.775 . . . . 0.0 110.671 175.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.276 14.1 m -68.24 -36.43 75.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 120.21 1.368 . . . . 0.0 112.259 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -56.87 -52.78 63.78 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.139 0.881 . . . . 0.0 110.05 171.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 tt -54.49 -44.86 73.02 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.412 1.085 . . . . 0.0 111.197 176.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -61.89 -41.72 98.22 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.88 0.872 . . . . 0.0 109.711 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -59.57 -48.9 79.87 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 173.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -54.27 -50.42 67.28 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.392 0.277 . . . . 0.0 111.187 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mt -56.26 -58.02 9.75 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 122.982 0.513 . . . . 0.0 110.179 174.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -64.69 -24.8 67.69 Favored 'General case' 0 N--CA 1.461 0.12 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -172.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -46.99 -32.31 3.81 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.122 0.969 . . . . 0.0 110.767 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -35.82 -53.66 0.73 Allowed 'General case' 0 C--N 1.34 0.176 0 C-N-CA 125.069 1.348 . . . . 0.0 112.986 168.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -154.92 55.0 0.66 Allowed 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -173.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 p30 44.78 -79.01 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.733 2.413 . . . . 0.0 115.036 174.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -78.35 -20.85 50.46 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.455 1.502 . . . . 0.0 111.764 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -144.04 163.13 34.41 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 -170.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 5.6 t -111.31 129.93 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 127.053 2.141 . . . . 0.0 106.576 174.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -90.18 148.54 22.89 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 169.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -40.97 -53.86 2.87 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.668 1.187 . . . . 0.0 114.122 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -63.33 -40.48 97.45 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 121.352 -0.843 . . . . 0.0 110.172 -172.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -70.14 -39.1 75.58 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -50.75 -51.23 52.19 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.569 0.622 . . . . 0.0 110.597 170.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 23.7 mm -58.22 -51.89 65.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 118.519 0.599 . . . . 0.0 110.307 176.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 44.3 m -48.16 -51.37 25.3 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.803 0.811 . . . . 0.0 110.428 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -63.11 -43.7 97.71 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 123.633 0.773 . . . . 0.0 110.361 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.0 mt -57.55 -34.81 69.55 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.945 1.248 . . . . 0.0 110.73 173.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.68 -50.5 64.87 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 169.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.09 -46.05 79.2 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 122.173 -0.604 . . . . 0.0 111.113 174.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.56 -48.34 74.91 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 125.265 1.426 . . . . 0.0 109.609 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.91 -53.84 50.28 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.244 0.618 . . . . 0.0 109.856 174.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 14.6 ttt -60.77 -34.12 73.99 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 122.057 -0.402 . . . . 0.0 112.022 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 62.5 mt -72.33 -42.74 65.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 125.492 1.517 . . . . 0.0 110.354 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -52.65 -47.8 66.85 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 170.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 71.46 -59.34 0.55 Allowed 'General case' 0 C--O 1.227 -0.086 0 C-N-CA 125.915 1.686 . . . . 0.0 113.79 167.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -48.67 -46.94 40.91 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.241 1.017 . . . . 0.0 109.597 176.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.23 -41.17 1.26 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.997 1.719 . . . . 0.0 113.145 173.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.87 -30.72 62.79 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.53 0.732 . . . . 0.0 110.693 -176.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -77.65 -44.57 27.71 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 174.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 116.85 -2.083 . . . . 0.0 111.186 177.412 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 121.054 0.454 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 71.62 -62.08 0.47 Allowed 'General case' 0 C--O 1.233 0.194 0 C-N-CA 128.417 2.687 . . . . 0.0 111.271 172.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -37.99 -48.22 2.92 Favored Pre-proline 0 N--CA 1.447 -0.585 0 C-N-CA 128.751 2.82 . . . . 0.0 113.742 -172.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.07 -46.93 22.51 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 121.447 1.431 . . . . 0.0 112.897 -178.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.7 tp -80.49 -44.71 18.72 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 118.513 0.597 . . . . 0.0 109.491 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.68 -43.66 62.8 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.849 0.859 . . . . 0.0 110.961 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -38.35 86.41 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.137 0.881 . . . . 0.0 110.872 178.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.94 -52.86 12.95 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 117.745 0.248 . . . . 0.0 110.342 -173.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.7 pt -57.61 -43.26 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 173.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.27 -44.05 20.01 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 125.092 1.329 . . . . 0.0 112.462 170.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -60.89 3.11 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.094 0.958 . . . . 0.0 109.83 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -51.14 -46.81 62.08 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.415 0.686 . . . . 0.0 110.034 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.54 -54.32 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 C-N-CA 123.603 0.761 . . . . 0.0 110.118 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.53 -49.85 66.76 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.291 -1.124 . . . . 0.0 110.291 -178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 mt -51.96 -53.2 18.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 175.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -58.06 -63.61 1.2 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.455 0.645 . . . . 0.0 111.196 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.61 -24.32 65.46 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -167.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -42.97 82.22 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 118.561 -1.256 . . . . 0.0 110.039 171.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -70.09 -39.25 75.66 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.491 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.9 p -60.99 -56.75 17.46 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 118.584 -1.246 . . . . 0.0 108.141 169.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -29.22 -54.41 0.16 Allowed Glycine 0 CA--C 1.526 0.767 0 C-N-CA 126.945 2.212 . . . . 0.0 113.431 172.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -45.76 -42.66 12.28 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.875 1.27 . . . . 0.0 113.231 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -100.74 -25.37 14.16 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.392 1.077 . . . . 0.0 112.479 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.98 119.18 0.47 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 109.092 -1.603 . . . . 0.0 109.092 -174.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -69.98 74.63 0.47 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.043 0.937 . . . . 0.0 111.537 -175.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -124.68 163.64 21.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.883 1.673 . . . . 0.0 108.691 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -76.34 38.17 0.18 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.245 0.618 . . . . 0.0 111.329 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.7 p -151.27 132.5 14.49 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 125.06 1.344 . . . . 0.0 109.897 -170.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 mp -108.59 143.88 37.04 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 167.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.1 p -77.31 155.03 32.29 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -54.15 -40.01 67.04 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -171.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -79.94 -29.65 39.75 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.297 -0.877 . . . . 0.0 111.529 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -61.72 -41.93 98.27 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.181 -0.949 . . . . 0.0 108.95 170.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.5 tm? -55.04 -50.44 69.07 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.733 0.413 . . . . 0.0 110.015 171.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -51.02 -48.62 61.4 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.259 -0.9 . . . . 0.0 111.026 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -54.76 -47.24 74.13 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 122.369 0.267 . . . . 0.0 111.283 177.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 tt -52.24 -53.35 44.78 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 123.725 0.81 . . . . 0.0 109.848 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.9 mt -62.7 -49.83 82.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -177.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -38.9 69.8 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.512 -176.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -74.54 -59.48 2.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.917 0.781 . . . . 0.0 110.489 172.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -60.45 -54.92 39.8 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 123.042 0.537 . . . . 0.0 112.426 -169.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.4 mt -82.34 -22.35 35.58 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.092 0.405 . . . . 0.0 110.968 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m 61.93 60.05 1.61 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.262 0.553 . . . . 0.0 111.014 169.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.2 pt -73.11 65.95 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 123.919 0.888 . . . . 0.0 112.284 -175.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.82 -29.52 34.08 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 124.89 1.233 . . . . 0.0 113.871 -177.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 p -70.26 -22.4 62.88 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.585 1.154 . . . . 0.0 112.666 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 mttp 73.14 -47.41 0.67 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.336 1.854 . . . . 0.0 114.221 172.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.68 -18.26 7.61 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.621 1.169 . . . . 0.0 112.703 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -57.08 -22.83 42.38 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.492 -0.755 . . . . 0.0 111.861 171.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -42.66 -45.18 4.58 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 125.249 1.42 . . . . 0.0 113.002 -177.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.97 -45.16 74.94 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.204 0.602 . . . . 0.0 111.283 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.05 -47.8 78.76 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 176.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.1 mm -54.21 -43.76 62.0 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.622 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.284 9.2 m -68.01 -37.82 78.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 120.471 1.487 . . . . 0.0 112.563 -178.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.74 -51.54 69.34 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.053 0.842 . . . . 0.0 109.854 172.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -55.97 -42.99 77.11 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.108 0.963 . . . . 0.0 111.333 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -61.65 -43.28 99.15 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.306 1.443 . . . . 0.0 109.474 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.01 -48.65 80.81 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.361 0.528 . . . . 0.0 109.59 174.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -54.83 -50.52 68.42 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 122.208 -0.308 . . . . 0.0 111.323 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -57.37 -57.19 13.74 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.407 0.683 . . . . 0.0 110.777 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -67.42 -22.2 65.53 Favored 'General case' 0 N--CA 1.457 -0.083 0 CA-C-O 118.221 -0.895 . . . . 0.0 112.862 -172.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -38.99 -37.84 0.4 Allowed 'General case' 0 C--N 1.344 0.331 0 C-N-CA 125.371 1.468 . . . . 0.0 110.812 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -23.06 -62.04 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.478 1.911 . . . . 0.0 113.28 165.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -147.17 24.69 1.14 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.653 1.181 . . . . 0.0 111.614 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.313 0.1 OUTLIER 63.91 -53.32 0.24 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 128.411 2.684 . . . . 0.0 115.1 -179.063 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -78.9 -40.35 32.49 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 121.301 -0.875 . . . . 0.0 110.559 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.69 152.3 51.74 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.412 1.085 . . . . 0.0 111.846 -173.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.1 p -103.07 130.23 53.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 125.252 1.421 . . . . 0.0 108.295 169.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.83 152.98 21.43 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.799 0.44 . . . . 0.0 110.117 176.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -42.76 -52.73 4.87 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.375 1.47 . . . . 0.0 113.838 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -60.11 -41.36 92.4 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 121.33 -0.856 . . . . 0.0 111.038 -176.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -72.61 -37.84 67.97 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -53.51 -54.06 42.65 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.613 0.642 . . . . 0.0 110.379 171.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 18.5 mm -56.1 -53.11 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.7 m -52.7 -47.68 67.09 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.143 0.497 . . . . 0.0 111.17 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -63.6 -43.16 97.73 Favored 'General case' 0 N--CA 1.446 -0.64 0 O-C-N 121.304 -0.873 . . . . 0.0 110.662 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.5 mt -57.72 -36.52 72.12 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.432 -0.793 . . . . 0.0 110.155 171.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.51 -42.53 95.99 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 121.949 -0.469 . . . . 0.0 112.168 169.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.67 -48.18 80.43 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 120.984 -1.304 . . . . 0.0 109.947 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.0 tp -53.32 -49.4 67.13 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.704 1.202 . . . . 0.0 109.746 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.453 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -58.57 -47.18 85.12 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.14 0.976 . . . . 0.0 110.994 177.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 55.3 ttp -62.83 -40.32 97.05 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.406 0.282 . . . . 0.0 110.78 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.0 mt -58.0 -48.73 83.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 172.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -71.51 41.78 0.07 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.821 0.849 . . . . 0.0 112.288 171.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -44.93 -32.33 1.58 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 127.132 2.173 . . . . 0.0 112.793 177.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.1 mp0 -47.88 -41.1 23.5 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.989 0.916 . . . . 0.0 110.506 175.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.03 -37.14 83.82 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.371 0.668 . . . . 0.0 111.746 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 35.1 mt -66.62 -50.71 62.1 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 172.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -52.84 -44.23 66.59 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.256 -0.277 . . . . 0.0 111.415 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.177 0 CA-C-O 117.329 -1.817 . . . . 0.0 110.635 174.863 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 61.9 mtt . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.87 -55.35 0.43 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 129.731 3.213 . . . . 0.0 112.169 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -39.22 -47.86 4.23 Favored Pre-proline 0 N--CA 1.448 -0.572 0 C-N-CA 128.543 2.737 . . . . 0.0 113.623 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.35 -55.16 3.33 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 121.979 1.786 . . . . 0.0 111.956 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 42.3 tp -68.63 -44.41 74.26 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.173 -0.955 . . . . 0.0 110.28 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -52.62 -48.34 66.4 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 122.733 0.413 . . . . 0.0 111.089 -175.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -38.98 85.06 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.182 0.446 . . . . 0.0 110.616 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.06 -53.05 22.41 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 122.149 0.18 . . . . 0.0 111.039 -176.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 28.8 pt -57.21 -44.16 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 119.806 -0.758 . . . . 0.0 109.001 175.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.41 -45.38 22.28 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.903 1.24 . . . . 0.0 112.417 171.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.4 -60.22 4.13 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.177 0.991 . . . . 0.0 109.889 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mp -51.48 -47.57 63.13 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 123.256 0.623 . . . . 0.0 110.302 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.453 HD11 ' HB1' ' A' ' 81' ' ' ALA . 64.2 mt -60.44 -54.19 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 124.288 1.035 . . . . 0.0 110.05 -178.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.98 -50.06 63.57 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 124.701 1.143 . . . . 0.0 110.532 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -52.66 -58.04 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -53.21 -58.36 7.33 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.086 0.469 . . . . 0.0 111.229 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -26.42 60.69 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 119.851 -0.74 . . . . 0.0 112.218 -169.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -66.04 -42.14 89.97 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 118.865 -1.134 . . . . 0.0 109.277 173.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -63.09 -51.47 66.47 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.07 175.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 97.1 p -56.99 -44.56 82.86 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 120.046 1.294 . . . . 0.0 109.904 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -35.1 -36.09 0.08 OUTLIER Glycine 0 CA--C 1.532 1.116 0 C-N-CA 126.582 2.039 . . . . 0.0 114.688 169.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -50.38 -47.79 56.08 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.599 1.199 . . . . 0.0 111.458 176.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -96.02 -39.48 9.73 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.594 0.758 . . . . 0.0 110.37 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.01 141.74 3.96 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 108.299 -1.92 . . . . 0.0 108.299 176.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -75.44 64.9 1.63 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 117.926 0.863 . . . . 0.0 110.773 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -105.35 158.27 16.75 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.263 1.425 . . . . 0.0 108.747 173.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -79.82 36.65 0.34 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.225 0.61 . . . . 0.0 111.658 -176.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 53.2 p -140.64 143.26 35.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.077 1.351 . . . . 0.0 108.984 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 71.0 mt -108.1 144.52 35.36 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 169.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.0 p -83.34 177.19 8.61 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.131 0.878 . . . . 0.0 110.557 170.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -64.92 -65.96 0.61 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.815 0.846 . . . . 0.0 111.772 -169.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.44 -29.5 70.56 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.727 -0.608 . . . . 0.0 110.436 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.19 -46.85 85.11 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.226 0.61 . . . . 0.0 111.002 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.56 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.6 tm? -55.07 -48.52 73.39 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 169.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -55.89 -41.61 74.74 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.499 -0.751 . . . . 0.0 110.972 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -56.11 -54.85 40.09 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.877 1.271 . . . . 0.0 110.067 173.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 tt -44.96 -55.45 5.49 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 124.276 1.03 . . . . 0.0 110.304 174.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.88 -51.91 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-O 119.336 -0.364 . . . . 0.0 110.428 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -37.61 81.6 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 118.413 0.551 . . . . 0.0 110.821 -174.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -55.12 6.26 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -74.21 -52.51 12.2 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.86 -0.525 . . . . 0.0 110.531 -171.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 22.4 mt -90.35 67.34 6.68 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.15 76.22 0.24 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.66 0.784 . . . . 0.0 111.895 -174.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 5.4 mt -56.76 -42.04 76.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 123.657 0.783 . . . . 0.0 110.431 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.93 -66.54 1.78 Allowed Glycine 0 CA--C 1.527 0.804 0 N-CA-C 109.198 -1.561 . . . . 0.0 109.198 -171.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 17.6 m -72.75 64.78 0.67 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.538 1.135 . . . . 0.0 110.33 174.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -77.18 51.2 0.81 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.801 1.241 . . . . 0.0 111.587 -174.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 75.4 mt -69.35 -36.51 76.96 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.554 0.741 . . . . 0.0 109.785 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -74.64 30.16 0.09 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.599 1.16 . . . . 0.0 112.497 -175.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -54.55 -46.24 73.61 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.987 0.915 . . . . 0.0 111.177 -172.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.05 -46.46 53.12 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.522 0.729 . . . . 0.0 111.04 174.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -66.21 -42.25 89.02 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 44.0 mm -56.14 -49.72 74.45 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 CA-C-O 118.986 -0.53 . . . . 0.0 110.161 175.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 19.4 m -69.92 -32.71 52.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 119.492 1.042 . . . . 0.0 112.373 -177.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -60.49 -51.22 70.4 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.165 0.893 . . . . 0.0 109.803 170.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tt -54.49 -45.46 73.24 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.979 0.912 . . . . 0.0 110.889 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 56.6 ttp -57.6 -55.48 34.33 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.765 1.226 . . . . 0.0 109.066 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -48.68 -53.42 18.83 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.718 0.807 . . . . 0.0 109.9 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -55.57 -51.32 67.51 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.831 0.452 . . . . 0.0 110.981 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.408 HD21 ' CD2' ' B' ' 76' ' ' PHE . 9.8 mt -53.69 -54.17 41.63 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.864 0.466 . . . . 0.0 111.041 176.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -76.86 -30.91 56.47 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -169.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -74.98 -12.36 60.32 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 122.122 -0.361 . . . . 0.0 110.797 -176.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.71 -27.78 63.25 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.254 0.622 . . . . 0.0 110.901 174.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -133.11 -142.38 0.21 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.429 0.692 . . . . 0.0 109.431 170.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -77.32 46.72 0.52 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.28 1.432 . . . . 0.0 113.388 -168.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 63.33 28.43 15.63 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.174 0.99 . . . . 0.0 109.807 -173.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -139.3 140.54 37.63 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 4.1 t -79.51 109.28 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -78.05 144.83 36.27 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 119.009 0.822 . . . . 0.0 109.383 173.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -40.97 -51.89 3.18 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.737 1.215 . . . . 0.0 113.033 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -59.67 -46.07 90.15 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.6 0.714 . . . . 0.0 110.215 -175.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -69.01 -35.84 77.13 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.54 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -54.63 -53.01 60.3 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.804 0.442 . . . . 0.0 110.064 170.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 30.3 mm -57.49 -55.54 20.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 118.733 0.697 . . . . 0.0 110.219 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 53.5 m -48.73 -50.44 33.68 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.981 -0.449 . . . . 0.0 111.3 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.408 ' CD2' HD21 ' B' ' 60' ' ' LEU . 65.2 t80 -62.31 -42.72 99.61 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 123.066 0.546 . . . . 0.0 110.838 -179.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 79.8 mt -57.59 -36.97 72.44 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.517 1.053 . . . . 0.0 109.854 173.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.57 -50.18 64.71 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 168.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.13 -47.31 75.25 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.663 -0.904 . . . . 0.0 111.01 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.2 tp -56.03 -47.67 77.43 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.781 1.232 . . . . 0.0 109.976 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.02 -49.36 73.91 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.75 0.82 . . . . 0.0 110.647 174.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 14.8 tpt -57.72 -42.98 84.94 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.439 0.696 . . . . 0.0 111.59 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.71 -48.02 90.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 124.26 1.024 . . . . 0.0 109.557 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -54.38 -50.63 67.05 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 69.88 -52.73 0.63 Allowed 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 126.397 1.879 . . . . 0.0 114.791 168.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -49.25 -42.07 39.62 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 124.098 0.959 . . . . 0.0 109.6 169.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.48 -43.2 62.1 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.549 0.74 . . . . 0.0 111.676 172.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 17.4 mt -69.02 -57.05 5.97 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -59.07 -39.92 83.62 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.323 0.249 . . . . 0.0 111.634 -173.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 117.43 -1.761 . . . . 0.0 109.955 177.22 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 mmt . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 121.256 0.55 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.33 -53.09 32.72 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.958 -0.464 . . . . 0.0 110.408 -172.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.8 -57.25 6.11 Favored Pre-proline 0 N--CA 1.451 -0.422 0 C-N-CA 125.563 1.545 . . . . 0.0 111.829 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -39.48 -51.83 2.65 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 124.26 3.307 . . . . 0.0 115.489 171.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -72.03 -48.52 43.93 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 118.79 -1.164 . . . . 0.0 109.85 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -52.36 -46.01 65.96 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.856 0.462 . . . . 0.0 111.101 -176.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -64.89 -37.69 88.49 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 122.05 -0.406 . . . . 0.0 111.115 178.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.16 -54.53 28.29 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.866 -0.521 . . . . 0.0 111.012 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.8 pt -57.02 -43.06 80.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.2 -47.02 10.7 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 125.326 1.441 . . . . 0.0 112.601 170.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.67 -59.86 4.4 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.13 0.965 . . . . 0.0 109.861 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -52.23 -47.15 65.85 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.363 0.665 . . . . 0.0 110.237 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.4 mt -62.75 -51.16 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 122.783 0.433 . . . . 0.0 110.115 -177.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.06 -52.31 50.02 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.9 mt -52.92 -54.18 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -53.15 -63.85 1.01 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.94 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -71.89 -22.14 61.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 118.824 -0.608 . . . . 0.0 112.523 -169.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -59.8 -55.72 30.74 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 169.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -63.07 -36.31 83.17 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 119.06 -0.495 . . . . 0.0 111.442 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.4 m -57.94 -59.12 5.74 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 119.271 0.941 . . . . 0.0 109.944 170.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.33 -42.45 9.3 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 125.687 1.613 . . . . 0.0 111.93 -177.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -47.06 -41.08 16.31 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.978 0.911 . . . . 0.0 112.771 175.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -98.25 -35.83 10.22 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.844 0.857 . . . . 0.0 112.213 177.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.57 153.37 14.04 Favored Glycine 0 CA--C 1.529 0.937 0 CA-C-N 118.911 0.778 . . . . 0.0 111.454 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -75.08 73.12 2.23 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.493 0.717 . . . . 0.0 109.693 177.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -141.88 144.01 33.61 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.611 1.164 . . . . 0.0 108.962 -175.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -80.52 52.38 1.64 Allowed 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.321 -0.862 . . . . 0.0 111.047 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.6 p -143.63 158.17 43.87 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.37 1.068 . . . . 0.0 109.257 175.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.7 mt -123.25 130.9 53.37 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 124.429 1.092 . . . . 0.0 108.201 169.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.8 t -81.88 170.21 15.92 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.447 0.641 . . . . 0.0 110.611 169.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -58.11 9.28 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.211 1.404 . . . . 0.0 113.207 -169.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.6 -30.24 65.58 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.846 -0.534 . . . . 0.0 110.3 -176.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -63.16 -46.48 86.97 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.752 -0.592 . . . . 0.0 109.499 174.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.476 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.3 tm? -55.8 -48.75 74.85 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 172.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -53.31 -46.8 69.55 Favored 'General case' 0 C--O 1.224 -0.276 0 O-C-N 121.189 -0.944 . . . . 0.0 110.223 175.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.55 -46.09 80.87 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.807 0.731 . . . . 0.0 110.923 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 tt -51.36 -53.35 37.27 Favored 'General case' 0 CA--C 1.522 -0.111 0 C-N-CA 123.61 0.764 . . . . 0.0 109.711 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.2 mt -62.93 -52.31 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.42 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -52.64 -39.14 61.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.517 0.727 . . . . 0.0 111.098 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tpmt? -72.58 -60.47 2.22 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.791 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -68.79 -58.66 3.88 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.664 0.386 . . . . 0.0 110.757 -169.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -89.94 75.63 7.18 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.16 70.44 0.15 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.108 1.363 . . . . 0.0 112.397 -170.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.3 pt -69.47 80.47 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 124.453 1.101 . . . . 0.0 111.749 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.46 -31.83 14.51 Favored Glycine 0 CA--C 1.533 1.2 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 168.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 p -68.76 64.73 0.12 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.45 1.9 . . . . 0.0 109.61 168.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -48.08 -34.22 9.33 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 126.098 1.759 . . . . 0.0 113.829 -169.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.415 ' H ' HD22 ' A' ' 48' ' ' LEU . 3.2 mm? -49.21 -37.17 21.97 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.209 1.004 . . . . 0.0 111.399 177.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -58.49 -14.86 8.87 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -46.35 -36.43 6.36 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.345 0.975 . . . . 0.0 111.625 169.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.21 -45.24 79.96 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.925 0.393 . . . . 0.0 111.44 173.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -63.86 -45.49 89.25 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 174.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 mm -55.13 -42.81 67.27 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.297 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.9 m -65.9 -39.7 85.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 120.492 1.496 . . . . 0.0 112.497 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -59.51 -51.83 68.17 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.843 0.747 . . . . 0.0 109.693 173.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 tt -53.67 -43.87 69.2 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.974 0.91 . . . . 0.0 111.299 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -63.11 -42.89 99.64 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.452 1.101 . . . . 0.0 109.419 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.25 -48.09 81.51 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 172.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -59.72 -36.46 76.6 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 122.025 -0.422 . . . . 0.0 111.922 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mt -65.56 -62.43 1.52 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.536 0.734 . . . . 0.0 109.948 170.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -60.75 -24.21 65.54 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 123.812 0.845 . . . . 0.0 113.226 -172.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.4 ttp-105 -27.17 -50.71 0.05 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 127.439 2.295 . . . . 0.0 111.278 168.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -38.0 -53.53 1.36 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.566 1.546 . . . . 0.0 113.65 176.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? -149.41 49.07 0.96 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.274 0.63 . . . . 0.0 109.466 -174.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 p30 46.92 -78.49 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.618 2.367 . . . . 0.0 114.552 171.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -66.22 -31.79 72.82 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 125.567 1.547 . . . . 0.0 111.388 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -141.66 164.99 28.71 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -172.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.8 p -116.73 139.79 42.03 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 125.523 1.529 . . . . 0.0 107.493 168.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -92.86 153.54 18.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.043 0.937 . . . . 0.0 109.956 175.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -39.47 -53.51 2.04 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.885 1.674 . . . . 0.0 113.655 177.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -58.38 -46.57 86.1 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.511 -0.743 . . . . 0.0 110.228 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -72.36 -31.96 66.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.421 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -56.35 -50.61 71.02 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 168.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.9 mm -57.78 -54.45 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-N 118.578 0.626 . . . . 0.0 110.23 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.4 m -49.71 -49.07 49.24 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.578 0.627 . . . . 0.0 111.191 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -61.08 -45.41 94.84 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 122.564 0.346 . . . . 0.0 110.443 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.48 -34.72 71.2 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.77 0.714 . . . . 0.0 110.515 173.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.31 -51.69 57.08 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 169.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.31 -46.36 72.79 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.875 -0.779 . . . . 0.0 110.38 175.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 tp -60.69 -42.48 97.24 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.635 0.774 . . . . 0.0 110.659 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.478 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -59.44 -39.57 83.97 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 121.654 -0.653 . . . . 0.0 110.821 174.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -61.48 -50.33 73.16 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 122.068 -0.395 . . . . 0.0 109.978 170.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.9 mm -52.39 -41.59 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 124.154 0.981 . . . . 0.0 110.987 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.1 m-30 -51.1 -37.05 43.63 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.025 0.375 . . . . 0.0 111.022 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 35.5 t30 68.84 -64.58 0.32 Allowed 'General case' 0 C--N 1.34 0.174 0 C-N-CA 127.259 2.224 . . . . 0.0 112.442 172.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -49.29 -41.21 37.41 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.096 1.358 . . . . 0.0 110.387 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.71 -37.34 65.74 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.905 0.882 . . . . 0.0 112.266 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 83.2 mt -83.61 -54.09 5.19 Favored 'General case' 0 C--N 1.339 0.111 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 175.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -61.25 -38.17 85.71 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.065 0.546 . . . . 0.0 112.019 -169.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.13 0 CA-C-O 117.124 -1.931 . . . . 0.0 111.644 -179.022 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.42 -62.21 0.38 Allowed 'General case' 0 C--O 1.232 0.17 0 C-N-CA 129.622 3.169 . . . . 0.0 110.927 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.73 -50.17 5.46 Favored Pre-proline 0 N--CA 1.449 -0.518 0 C-N-CA 128.32 2.648 . . . . 0.0 113.157 177.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -59.42 -41.04 61.67 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 121.604 1.536 . . . . 0.0 114.47 -171.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 66.0 tp -81.02 -45.45 16.55 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.157 0.435 . . . . 0.0 110.276 171.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -52.46 -41.93 63.74 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 119.301 -0.38 . . . . 0.0 111.501 -175.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -58.11 -40.99 82.59 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.534 0.606 . . . . 0.0 110.888 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.94 -53.2 15.85 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 121.882 -0.511 . . . . 0.0 110.503 -174.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 35.5 pt -57.69 -42.26 81.22 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.109 173.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.58 -43.59 15.6 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 125.42 1.486 . . . . 0.0 112.44 170.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -59.52 5.21 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 118.159 0.979 . . . . 0.0 109.842 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -51.66 -47.14 63.89 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 123.125 0.57 . . . . 0.0 110.394 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.478 HD11 ' HB1' ' A' ' 81' ' ' ALA . 53.8 mt -61.68 -51.97 66.41 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.41 -53.23 39.52 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 9.0 mt -49.94 -60.86 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 175.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -51.43 -51.02 58.41 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.029 0.442 . . . . 0.0 111.65 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -72.44 -28.86 63.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.472 -170.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -62.51 -55.74 24.61 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 169.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -61.86 -44.63 96.43 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -174.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.9 p -67.85 -46.51 71.54 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.3 -0.875 . . . . 0.0 109.722 174.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.87 -43.15 8.18 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 124.34 0.971 . . . . 0.0 112.229 174.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.94 -44.57 40.75 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.652 0.781 . . . . 0.0 112.288 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -93.26 -19.09 21.74 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.607 0.763 . . . . 0.0 111.213 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.68 37.93 95.05 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.238 0.923 . . . . 0.0 112.161 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -85.99 -61.97 1.63 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.062 0.945 . . . . 0.0 110.722 -177.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 6.6 tptm -174.66 -163.06 0.13 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -76.86 51.82 0.81 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.744 0.783 . . . . 0.0 109.906 171.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 15.9 p -144.52 136.98 26.53 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 126.978 2.111 . . . . 0.0 106.789 -169.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 65.5 mt -99.58 152.0 20.53 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 168.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 87.6 p -88.49 159.9 17.75 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 166.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -48.51 -48.05 38.52 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.297 1.039 . . . . 0.0 113.167 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -78.69 -31.57 46.66 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.698 -0.626 . . . . 0.0 110.909 -177.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -61.07 -42.15 97.96 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.429 -0.794 . . . . 0.0 109.583 171.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.552 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.7 tm? -56.85 -50.09 73.5 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 172.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -53.11 -44.92 68.01 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.236 0.926 . . . . 0.0 110.799 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -55.42 -50.69 69.14 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 117.883 0.31 . . . . 0.0 110.297 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tt -49.68 -53.77 22.57 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 124.075 0.95 . . . . 0.0 110.5 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 44.9 mt -61.78 -55.21 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 O-C-N 121.965 -0.459 . . . . 0.0 110.436 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -58.1 -39.9 79.82 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.62 0.646 . . . . 0.0 110.957 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -81.12 -37.57 28.66 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -174.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -81.27 -68.2 0.71 Allowed 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.777 0.798 . . . . 0.0 109.569 172.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.2 mt -85.25 61.63 6.99 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.816 1.246 . . . . 0.0 108.774 -173.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 7.3 m -70.24 73.15 0.47 Allowed 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.577 1.151 . . . . 0.0 112.407 -173.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.55 131.04 19.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 169.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.47 -50.77 53.45 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 -178.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.1 t -74.51 76.48 1.96 Allowed 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -62.61 -5.9 3.05 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 81.9 mt -55.22 -32.95 62.68 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.419 -0.8 . . . . 0.0 109.308 166.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -58.43 -7.64 0.96 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.23 1.012 . . . . 0.0 113.045 172.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -51.51 -29.15 15.64 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 120.059 1.3 . . . . 0.0 111.443 172.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.69 -48.69 69.26 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.327 0.512 . . . . 0.0 111.47 169.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.32 -45.47 93.07 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 27.7 mm -55.92 -40.29 61.77 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.305 0 CA-C-O 117.972 -1.013 . . . . 0.0 111.31 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.254 8.5 m -68.04 -37.71 78.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 120.735 1.607 . . . . 0.0 112.41 177.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -59.81 -52.29 66.1 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.111 0.869 . . . . 0.0 109.546 173.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.19 -44.03 71.23 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.153 0.581 . . . . 0.0 111.048 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -62.83 -40.89 98.79 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.196 0.998 . . . . 0.0 109.547 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -58.29 -48.73 79.57 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 173.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -62.22 -32.44 73.1 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mt -66.54 -71.32 0.2 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 168.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . 0.268 5.1 p-10 -55.35 -25.62 36.05 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 125.173 1.389 . . . . 0.0 113.983 -169.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 51.7 ttp85 -37.14 -47.13 0.75 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.197 1.399 . . . . 0.0 111.217 169.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.497 HD21 ' HA ' ' B' ' 68' ' ' VAL . 0.5 OUTLIER -43.92 -37.34 2.83 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 178.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -150.55 55.23 0.91 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.798 1.239 . . . . 0.0 107.853 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.267 4.7 p-10 50.56 -68.03 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 128.215 2.606 . . . . 0.0 115.996 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -125.7 -4.28 7.1 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.242 1.817 . . . . 0.0 111.681 -173.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -118.98 159.75 23.27 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.563 1.145 . . . . 0.0 108.887 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.497 ' HA ' HD21 ' B' ' 63' ' ' ASN . 3.6 t -118.27 108.64 24.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 125.172 1.389 . . . . 0.0 108.563 171.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -79.9 143.86 33.9 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.36 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -39.76 -60.4 1.0 Allowed 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -171.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -58.11 -35.66 71.77 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.278 -0.888 . . . . 0.0 111.28 -177.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -76.28 -36.07 58.58 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -55.74 -52.55 63.54 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 168.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 26.8 mm -55.61 -53.24 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 93.2 m -51.37 -48.8 62.39 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.88 0.472 . . . . 0.0 111.136 178.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -62.58 -41.92 99.24 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.988 -0.53 . . . . 0.0 110.51 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 71.2 mt -57.53 -34.23 68.92 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.68 1.127 . . . . 0.0 110.466 173.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.11 -52.08 54.57 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 168.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.35 -39.53 67.19 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.433 -1.039 . . . . 0.0 111.507 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 14.0 tp -65.58 -42.53 91.62 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.999 0.92 . . . . 0.0 110.015 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.38 -45.38 80.57 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.117 0.567 . . . . 0.0 110.169 170.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 33.9 ttp -64.08 -32.74 74.41 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.638 -0.664 . . . . 0.0 112.329 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 65.2 mt -71.25 -41.53 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 124.146 0.978 . . . . 0.0 110.625 174.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 5.6 m-30 -53.28 -46.17 69.19 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 169.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 72.58 -61.01 0.51 Allowed 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 126.511 1.925 . . . . 0.0 113.369 167.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -50.7 -43.3 57.71 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.654 0.782 . . . . 0.0 109.558 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.04 -45.75 16.22 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.939 0.896 . . . . 0.0 111.927 173.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 11.1 mt -66.82 -25.59 66.51 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-O 119.187 -0.435 . . . . 0.0 111.719 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -75.11 -53.84 8.16 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 174.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 117.314 -1.825 . . . . 0.0 110.179 173.193 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.37 -62.34 0.27 Allowed 'General case' 0 C--O 1.233 0.218 0 C-N-CA 129.664 3.186 . . . . 0.0 111.169 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 p -39.57 -44.39 3.36 Favored Pre-proline 0 CA--C 1.539 0.545 0 C-N-CA 127.667 2.387 . . . . 0.0 114.288 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -59.61 -43.01 42.07 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 121.852 1.701 . . . . 0.0 112.582 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -80.01 -44.49 20.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -50.22 -46.15 54.4 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.338 0.655 . . . . 0.0 110.591 -176.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -63.12 -34.45 77.64 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.872 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.59 -50.66 23.89 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.66 -0.65 . . . . 0.0 110.868 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.7 pt -59.02 -40.21 80.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 119.769 -0.773 . . . . 0.0 109.273 172.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.52 -45.96 37.4 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 125.017 1.294 . . . . 0.0 112.25 170.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -61.56 2.43 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.242 1.021 . . . . 0.0 109.63 178.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.47 ' CD2' HD13 ' A' ' 77' ' ' LEU . 7.4 mt -48.69 -48.85 39.79 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.417 1.087 . . . . 0.0 111.255 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mm -59.73 -55.45 23.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.399 1.08 . . . . 0.0 109.64 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.53 -47.57 87.31 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 125.111 1.339 . . . . 0.0 110.148 -176.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -55.1 -57.96 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 175.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 42.4 t80 -54.07 -54.1 44.06 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.001 0.429 . . . . 0.0 110.622 -173.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -69.6 -28.75 66.21 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.695 -0.669 . . . . 0.0 112.135 -173.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -57.09 -55.01 40.2 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.234 0.925 . . . . 0.0 108.703 169.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -63.18 -54.0 44.37 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-O 118.913 -0.565 . . . . 0.0 111.098 -178.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.2 m -49.83 -48.35 50.95 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.737 1.153 . . . . 0.0 111.241 174.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.34 -44.64 58.39 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 124.691 1.139 . . . . 0.0 111.802 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -46.75 -44.35 18.89 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 117.679 0.739 . . . . 0.0 111.823 177.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -99.96 16.89 22.43 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.312 0.645 . . . . 0.0 111.893 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.8 30.79 73.65 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 123.662 0.648 . . . . 0.0 113.126 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -104.67 157.53 17.12 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 171.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.19 -93.14 0.28 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.972 0.909 . . . . 0.0 109.714 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -99.1 29.05 4.05 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.495 0.718 . . . . 0.0 110.721 -170.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.1 m -146.79 154.52 41.46 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 4.6 tt -148.28 135.78 20.59 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -167.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.5 t -79.58 164.94 23.44 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.994 0.816 . . . . 0.0 112.613 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -71.98 -51.95 19.44 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -169.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -62.85 -36.5 83.45 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 120.64 -1.288 . . . . 0.0 109.525 177.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -62.51 -43.55 98.53 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 121.971 -0.455 . . . . 0.0 110.943 174.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.555 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.7 tm? -52.8 -46.93 67.87 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 171.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -55.5 -45.13 77.08 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 119.194 -1.003 . . . . 0.0 110.491 176.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.27 -49.58 73.81 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.506 0.594 . . . . 0.0 110.775 175.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 tt -48.0 -51.53 23.53 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 124.306 1.042 . . . . 0.0 109.602 174.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.6 mt -60.7 -57.77 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-O 119.405 -0.331 . . . . 0.0 110.218 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -54.73 -37.47 65.95 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.159 0.436 . . . . 0.0 112.003 -175.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -79.98 -56.01 4.55 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 117.968 0.349 . . . . 0.0 110.94 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -80.8 -48.46 12.43 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.654 0.382 . . . . 0.0 110.835 -170.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mp -87.58 67.18 9.24 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.98 78.3 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.805 1.242 . . . . 0.0 112.417 -168.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.8 mt -51.5 -47.15 36.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 125.847 1.659 . . . . 0.0 112.608 -169.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.4 -63.02 3.38 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 -169.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.6 p -75.26 60.53 1.1 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.432 1.093 . . . . 0.0 110.457 174.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.46 -7.15 23.16 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.974 1.309 . . . . 0.0 113.324 -172.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.3 mt -52.61 -24.55 8.58 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.506 0.722 . . . . 0.0 111.348 169.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -66.12 1.27 1.56 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 173.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -43.84 -41.59 5.15 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 125.074 1.35 . . . . 0.0 113.039 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.86 -46.67 71.35 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.489 0.716 . . . . 0.0 111.141 175.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -65.82 -43.02 89.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.3 mm -56.91 -43.22 80.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 CA-C-O 118.084 -0.96 . . . . 0.0 111.404 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 m -69.28 -33.36 57.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 120.583 1.538 . . . . 0.0 112.374 179.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -59.5 -52.01 67.42 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.156 0.889 . . . . 0.0 109.477 170.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.64 -42.33 74.84 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.894 0.878 . . . . 0.0 111.434 176.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.7 ttp -58.13 -51.66 68.78 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.745 1.218 . . . . 0.0 108.431 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -53.5 -50.05 66.22 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -54.04 -51.88 62.64 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.034 0.379 . . . . 0.0 111.595 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.8 mt -53.8 -58.43 7.27 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.354 0.662 . . . . 0.0 110.862 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -68.59 -30.91 69.76 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 118.908 -0.568 . . . . 0.0 112.381 -172.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -46.94 -45.39 20.7 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 123.636 0.774 . . . . 0.0 110.6 -175.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -30.47 43.78 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.56 0.744 . . . . 0.0 112.668 -176.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -132.85 42.56 3.06 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.011 0.924 . . . . 0.0 109.553 172.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 p30 38.05 -85.94 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 127.559 2.344 . . . . 0.0 115.369 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -69.87 -31.55 69.44 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.193 1.397 . . . . 0.0 111.53 -175.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -130.59 177.93 7.0 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.175 0.99 . . . . 0.0 109.578 -172.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.7 p -124.29 129.43 74.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 166.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -85.29 151.01 24.38 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -45.08 -51.61 9.99 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.561 0.745 . . . . 0.0 112.968 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -58.29 -46.46 86.06 Favored 'General case' 0 CA--C 1.53 0.205 0 O-C-N 121.83 -0.544 . . . . 0.0 110.008 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -67.19 -37.34 83.51 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.241 0.616 . . . . 0.0 110.296 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -54.78 -53.65 52.36 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.496 0.718 . . . . 0.0 110.196 170.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.438 HG21 ' CA ' ' B' ' 78' ' ' GLY . 17.2 mm -59.63 -48.21 88.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 118.712 0.687 . . . . 0.0 110.397 178.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.0 m -50.58 -51.72 45.71 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.52 0.676 . . . . 0.0 109.913 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -60.94 -45.47 94.59 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.61 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 12' ' ' LEU . 74.2 mt -57.34 -37.95 73.35 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.274 0.943 . . . . 0.0 110.658 175.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.73 -52.18 50.16 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 169.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.31 -42.9 78.33 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.253 -0.557 . . . . 0.0 111.449 175.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.3 tp -57.91 -49.38 76.95 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.835 1.254 . . . . 0.0 109.672 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.57 -48.8 76.57 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.202 0.601 . . . . 0.0 110.133 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 41.3 ttp -61.1 -38.57 86.76 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 122.771 0.428 . . . . 0.0 111.686 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.0 mt -68.64 -44.12 82.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 124.972 1.309 . . . . 0.0 109.883 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -52.73 -48.97 66.32 Favored 'General case' 0 C--N 1.34 0.167 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 171.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 71.51 -58.67 0.57 Allowed 'General case' 0 N--CA 1.461 0.091 0 C-N-CA 126.185 1.794 . . . . 0.0 113.651 167.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -45.91 -49.05 16.06 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.553 1.141 . . . . 0.0 109.175 172.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -39.42 -43.88 1.28 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.777 1.631 . . . . 0.0 112.819 173.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 42.1 mt -60.54 -48.94 79.56 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 120.887 0.375 . . . . 0.0 110.385 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -75.34 -35.59 61.15 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.517 0.727 . . . . 0.0 110.367 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.242 0 CA-C-O 117.372 -1.793 . . . . 0.0 110.105 174.867 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.24 20.34 1.06 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -39.46 -52.57 4.49 Favored Pre-proline 0 CA--C 1.536 0.425 0 C-N-CA 126.642 1.977 . . . . 0.0 115.059 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -63.1 -34.52 69.23 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 CA-C-N 120.896 1.356 . . . . 0.0 113.426 -169.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 44.9 tp -82.26 -46.05 14.2 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.766 0.712 . . . . 0.0 110.751 169.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -50.43 -43.2 54.91 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.05 0.54 . . . . 0.0 111.106 -175.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -56.04 -42.44 76.55 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.186 0.448 . . . . 0.0 111.474 176.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.24 -53.44 16.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.785 -0.572 . . . . 0.0 110.514 -174.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 20.5 pt -58.53 -40.69 79.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 119.774 -0.77 . . . . 0.0 108.984 174.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.82 -43.17 29.99 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 125.389 1.471 . . . . 0.0 112.271 170.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.98 -59.05 6.05 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.456 1.128 . . . . 0.0 109.655 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -51.19 -47.72 62.14 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 123.163 0.585 . . . . 0.0 110.431 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.41 -47.57 92.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 123.469 0.708 . . . . 0.0 109.941 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.27 -52.79 50.51 Favored Glycine 0 CA--C 1.521 0.427 0 C-N-CA 124.75 1.167 . . . . 0.0 110.232 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.3 mt -51.35 -60.74 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 107.715 -1.216 . . . . 0.0 107.715 174.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -48.14 -59.28 3.52 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.713 -175.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -74.92 -21.98 58.88 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 119.332 -0.366 . . . . 0.0 111.633 -170.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -60.97 -51.48 69.08 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 168.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -61.14 -46.99 88.28 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.83 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.3 p -61.65 -51.28 69.09 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.204 0.911 . . . . 0.0 110.118 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.28 -38.98 27.35 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 125.609 1.576 . . . . 0.0 112.536 176.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -42.49 -41.69 3.04 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.607 1.163 . . . . 0.0 112.593 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -120.66 31.32 6.49 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.821 0.848 . . . . 0.0 110.548 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.2 22.83 56.59 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 123.894 0.759 . . . . 0.0 113.517 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -83.13 159.91 21.98 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 170.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -115.66 -112.86 0.34 Allowed 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.437 0.695 . . . . 0.0 111.004 -173.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -82.49 33.12 0.41 Allowed 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.442 -0.786 . . . . 0.0 111.945 -169.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 14.3 t -155.79 161.62 40.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.949 1.3 . . . . 0.0 108.096 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 62.8 mt -127.51 158.77 36.54 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.768 1.627 . . . . 0.0 108.116 172.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 60.5 p -100.04 172.54 7.14 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.653 1.181 . . . . 0.0 110.247 171.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -58.44 -57.37 13.24 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -169.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -78.93 -24.62 43.9 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.814 -0.554 . . . . 0.0 110.429 -174.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -62.83 -46.83 86.1 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 169.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.531 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.9 tm? -59.95 -47.99 83.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 172.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -50.26 -47.72 55.06 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.48 -0.763 . . . . 0.0 109.761 175.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -56.4 -50.56 71.27 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.635 0.774 . . . . 0.0 111.085 176.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tt -46.37 -55.28 7.56 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 123.119 0.567 . . . . 0.0 110.114 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 69.6 mt -58.63 -55.64 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-O 119.037 -0.506 . . . . 0.0 110.414 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -62.01 -34.6 76.5 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 119.411 1.005 . . . . 0.0 112.028 -174.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -79.72 -39.52 30.97 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.648 0.658 . . . . 0.0 111.288 -176.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -80.33 -58.2 3.24 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.334 0.516 . . . . 0.0 110.647 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -99.28 67.0 1.54 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.863 2.065 . . . . 0.0 108.4 -176.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.2 m -71.41 75.76 0.76 Allowed 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.569 -0.707 . . . . 0.0 111.412 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.71 76.01 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-O 122.481 1.134 . . . . 0.0 111.127 175.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.92 -146.1 32.27 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.9 m -74.56 56.79 0.7 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.956 0.902 . . . . 0.0 110.885 176.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 47.0 mttp 51.72 47.24 25.18 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.682 1.193 . . . . 0.0 109.955 -175.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.39 -56.47 17.97 Favored 'General case' 0 CA--C 1.523 -0.09 0 O-C-N 121.517 -0.74 . . . . 0.0 112.147 -168.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -75.97 35.83 0.14 Allowed 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.363 -0.836 . . . . 0.0 112.448 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -51.13 -47.38 62.02 Favored 'General case' 0 C--N 1.342 0.254 0 O-C-N 121.154 -0.966 . . . . 0.0 111.945 -173.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.08 -44.89 67.89 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.491 0.662 . . . . 0.0 110.73 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -68.97 -40.01 79.11 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 36.3 mm -56.99 -49.33 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-O 118.43 -0.795 . . . . 0.0 110.866 174.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.4 m -65.03 -37.76 81.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 120.199 1.363 . . . . 0.0 111.506 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -58.04 -49.73 75.86 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.885 0.766 . . . . 0.0 110.284 171.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tt -57.27 -42.86 82.4 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.496 -0.753 . . . . 0.0 111.187 177.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -59.86 -45.99 90.71 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.168 0.987 . . . . 0.0 109.489 176.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -55.48 -52.02 65.05 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -60.12 -28.49 67.91 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.295 -0.878 . . . . 0.0 112.74 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mt -68.83 -58.83 3.62 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.637 0.775 . . . . 0.0 110.524 171.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 40.2 p30 -71.45 -26.18 62.62 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -172.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -40.16 -43.11 1.59 Allowed 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 126.937 2.095 . . . . 0.0 111.388 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -69.87 -3.86 17.71 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.718 0.807 . . . . 0.0 112.735 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -130.36 -63.75 0.88 Allowed 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 125.017 1.327 . . . . 0.0 109.321 169.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 p30 176.65 -91.86 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 126.05 1.74 . . . . 0.0 108.518 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -109.46 -26.12 10.14 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.583 1.553 . . . . 0.0 110.261 175.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -79.8 160.43 26.14 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.741 0.701 . . . . 0.0 109.428 173.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 32.7 t -114.73 111.73 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 104.678 -2.342 . . . . 0.0 104.678 168.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -80.5 149.58 29.98 Favored 'General case' 0 C--N 1.332 -0.156 0 O-C-N 121.223 -0.923 . . . . 0.0 109.56 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -41.56 -55.79 2.77 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -59.48 -43.73 93.22 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 121.621 -0.674 . . . . 0.0 109.758 -175.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -68.39 -37.12 80.08 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.14 0.576 . . . . 0.0 110.182 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -55.11 -53.88 50.21 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.131 0.573 . . . . 0.0 110.148 170.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 23.3 mm -58.14 -51.39 71.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 118.602 0.637 . . . . 0.0 110.081 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 64.5 m -51.4 -51.37 55.34 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.553 0.741 . . . . 0.0 110.28 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -61.15 -45.03 96.3 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.408 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 38.8 mt -56.93 -35.08 68.64 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.096 0.862 . . . . 0.0 110.733 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . 0.438 ' CA ' HG21 ' A' ' 74' ' ' ILE . . . -56.53 -53.66 41.86 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 169.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.02 -44.26 70.79 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 117.104 0.452 . . . . 0.0 111.417 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 tp -58.57 -48.55 80.55 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.176 0.99 . . . . 0.0 109.98 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.58 -37.39 75.68 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.975 0.91 . . . . 0.0 110.335 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 13.2 ttt -71.04 -41.22 71.1 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.462 0.705 . . . . 0.0 111.81 175.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.29 -37.9 65.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -71.97 61.86 0.43 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.164 0.507 . . . . 0.0 110.787 169.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -46.77 -39.17 11.25 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 125.457 1.503 . . . . 0.0 112.711 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -50.24 -43.32 52.95 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.076 0.55 . . . . 0.0 111.355 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.55 80.55 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.908 0.483 . . . . 0.0 110.073 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 62.6 mt -54.41 -47.52 72.66 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.193 0.521 . . . . 0.0 110.312 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -64.96 -47.3 78.11 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.733 1.213 . . . . 0.0 110.426 -175.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.315 0 CA-C-O 117.437 -1.757 . . . . 0.0 111.225 -175.303 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 ttt . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.68 -35.06 45.68 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.401 0.68 . . . . 0.0 111.622 -171.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.27 -48.31 6.33 Favored Pre-proline 0 CA--C 1.535 0.397 0 C-N-CA 126.702 2.001 . . . . 0.0 114.853 -172.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.87 -45.87 29.92 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.115 2.543 . . . . 0.0 111.886 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.3 tp -72.1 -46.41 56.83 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.127 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -51.47 -50.98 58.77 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 122.895 0.478 . . . . 0.0 110.587 -176.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -62.82 -36.96 84.89 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.35 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.6 -53.33 43.16 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 118.533 0.606 . . . . 0.0 111.502 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.8 pt -57.37 -44.08 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.53 -44.18 16.07 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 125.366 1.46 . . . . 0.0 112.657 170.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.18 -60.22 4.21 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.208 1.004 . . . . 0.0 109.754 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -52.05 -46.55 65.15 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.284 0.634 . . . . 0.0 110.17 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.46 HD11 ' HB1' ' B' ' 81' ' ' ALA . 65.2 mt -61.55 -50.07 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 123.1 0.56 . . . . 0.0 109.891 -178.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.31 -53.88 42.17 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mt -50.22 -52.8 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -55.1 -60.56 3.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.949 0.404 . . . . 0.0 111.322 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -66.85 -26.55 66.96 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 118.681 -0.676 . . . . 0.0 112.549 -169.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -55.56 -55.7 28.88 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.082 0.855 . . . . 0.0 109.224 169.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -67.93 -39.14 83.56 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 119.144 -0.455 . . . . 0.0 111.56 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -57.28 -52.93 63.37 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.262 0.937 . . . . 0.0 109.971 172.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.54 -42.39 51.17 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 124.571 1.082 . . . . 0.0 111.395 177.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -51.47 -36.35 43.85 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 117.386 0.593 . . . . 0.0 112.412 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -107.45 22.72 15.55 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.601 0.76 . . . . 0.0 111.535 176.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.23 26.48 43.43 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 124.312 0.958 . . . . 0.0 113.282 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -96.22 155.63 16.68 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.998 0.919 . . . . 0.0 108.705 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -97.22 -118.05 0.13 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.463 1.105 . . . . 0.0 109.028 -175.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -80.85 43.74 0.7 Allowed 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.268 -0.895 . . . . 0.0 110.749 -173.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.0 m -154.13 152.84 30.88 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.328 1.451 . . . . 0.0 108.037 -173.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.2 mt -127.67 138.08 52.7 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 124.908 1.283 . . . . 0.0 107.862 170.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.8 t -79.4 150.3 31.38 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.534 0.606 . . . . 0.0 109.712 169.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -50.96 -47.94 61.16 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.747 1.219 . . . . 0.0 113.058 -169.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -70.92 -32.4 69.32 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.753 -0.592 . . . . 0.0 110.859 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.97 -41.88 86.1 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.558 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.8 tm? -55.68 -48.64 74.73 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 170.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -56.01 -43.76 78.03 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.047 -1.033 . . . . 0.0 110.323 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -56.2 -49.24 74.63 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.788 0.435 . . . . 0.0 110.904 175.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tt -49.43 -52.69 27.16 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.042 0.937 . . . . 0.0 109.59 174.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 50.2 mt -61.92 -55.77 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.371 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -54.16 -41.59 68.66 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 119.465 -0.302 . . . . 0.0 111.38 -176.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.0 -54.41 6.06 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 118.117 0.417 . . . . 0.0 110.646 -177.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -77.16 -52.45 9.24 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -171.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 mt -89.55 67.36 7.53 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.85 70.32 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.827 1.651 . . . . 0.0 113.42 -168.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 pt -68.14 93.19 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.631 1.173 . . . . 0.0 110.414 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.7 60.69 0.92 Allowed Glycine 0 CA--C 1.534 1.23 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 169.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.3 m -170.02 59.42 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 128.138 2.575 . . . . 0.0 106.465 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -62.03 -9.01 6.11 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -169.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.473 ' H ' HD22 ' A' ' 48' ' ' LEU . 3.1 mm? -52.0 -37.29 52.69 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.913 0.779 . . . . 0.0 109.467 168.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -67.18 -7.62 25.0 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -53.52 -32.86 52.32 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 119.62 1.1 . . . . 0.0 111.631 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.28 -49.44 69.59 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.353 0.597 . . . . 0.0 110.735 171.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.57 -42.32 99.47 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 176.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.43 -43.52 77.92 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 CA-C-O 117.881 -1.057 . . . . 0.0 111.387 175.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.264 10.5 m -71.3 -32.72 47.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 120.902 1.683 . . . . 0.0 112.716 178.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -59.03 -51.52 69.72 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.6 1.091 . . . . 0.0 109.487 169.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tt -54.63 -42.08 70.81 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.339 1.056 . . . . 0.0 111.196 175.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 55.9 ttp -59.87 -48.17 82.77 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.081 0.952 . . . . 0.0 108.531 177.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -55.38 -48.89 73.62 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 175.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -55.06 -50.61 68.7 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.881 0.309 . . . . 0.0 111.654 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.2 mt -56.93 -58.66 7.18 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.101 0.56 . . . . 0.0 110.332 175.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.38 -19.0 63.83 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.96 0.904 . . . . 0.0 113.39 -171.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -42.0 -38.89 1.74 Allowed 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.651 1.18 . . . . 0.0 110.674 174.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -25.99 -55.76 0.07 Allowed 'General case' 0 C--N 1.341 0.201 0 C-N-CA 126.744 2.018 . . . . 0.0 113.173 167.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -161.91 64.06 0.24 Allowed 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 34.64 -64.66 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 130.452 3.501 . . . . 0.0 117.163 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -75.81 -25.14 56.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 124.924 1.29 . . . . 0.0 111.015 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -142.96 156.1 44.81 Favored 'General case' 0 C--N 1.343 0.306 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -170.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.6 p -113.16 130.01 67.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 126.557 1.943 . . . . 0.0 109.166 169.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.53 155.96 23.06 Favored 'General case' 0 C--N 1.34 0.186 0 CA-C-N 118.29 0.496 . . . . 0.0 110.21 176.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -45.2 -55.23 6.01 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -177.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -65.47 -38.71 90.58 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 118.984 -1.087 . . . . 0.0 110.389 -174.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.65 -34.26 76.58 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.839 -0.538 . . . . 0.0 110.952 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -55.88 -51.57 67.09 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.332 0.515 . . . . 0.0 110.045 168.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.8 mm -57.91 -50.44 77.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-N 118.609 0.641 . . . . 0.0 110.436 177.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.4 m -51.8 -47.49 64.24 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.324 1.05 . . . . 0.0 110.561 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -64.28 -44.44 91.7 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.154 178.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.6 mt -55.99 -33.14 64.56 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.335 0.97 . . . . 0.0 110.675 173.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.11 -49.56 71.05 Favored Glycine 0 CA--C 1.533 1.195 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 168.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.23 -44.13 83.51 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 121.624 -0.927 . . . . 0.0 110.939 173.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 tp -58.92 -44.71 91.37 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.584 0.754 . . . . 0.0 110.119 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.432 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -57.62 -47.78 81.25 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.481 0.712 . . . . 0.0 110.551 172.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.9 ttt -58.79 -37.9 77.37 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 122.017 -0.427 . . . . 0.0 111.576 177.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.6 mt -70.96 -42.25 77.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 125.01 1.324 . . . . 0.0 110.697 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -51.49 -50.31 60.14 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 170.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 72.06 -59.06 0.57 Allowed 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 126.245 1.818 . . . . 0.0 113.445 168.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -51.54 -41.33 61.0 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.792 0.837 . . . . 0.0 109.884 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.46 -41.2 6.11 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.642 1.177 . . . . 0.0 112.423 173.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 51.1 mt -61.4 -40.27 93.79 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.441 0.696 . . . . 0.0 110.349 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.38 -45.11 63.65 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.135 0 CA-C-O 117.454 -1.748 . . . . 0.0 110.247 175.116 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.472 0.638 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.51 -15.97 61.74 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -176.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.57 -50.09 5.17 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 126.038 1.735 . . . . 0.0 114.709 -174.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.46 -37.24 97.92 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 122.941 2.427 . . . . 0.0 112.773 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 53.8 tp -80.18 -46.8 15.73 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -49.55 -47.1 49.35 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 123.033 0.533 . . . . 0.0 110.82 -176.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -60.75 -37.89 83.32 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.29 -52.05 25.75 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 121.585 -0.697 . . . . 0.0 110.677 -177.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.6 pt -58.33 -42.78 84.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 119.61 -0.836 . . . . 0.0 108.984 174.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.92 -43.81 17.39 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 125.447 1.499 . . . . 0.0 112.138 170.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -59.33 5.59 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.167 0.983 . . . . 0.0 110.18 178.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -52.07 -46.31 65.09 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.152 0.581 . . . . 0.0 110.21 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.432 HD11 ' HB1' ' A' ' 81' ' ' ALA . 63.1 mt -62.1 -50.84 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.104 0.562 . . . . 0.0 109.769 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.8 -53.52 38.98 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 9.9 mt -50.7 -56.24 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 175.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -49.31 -54.98 14.37 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 117.958 0.345 . . . . 0.0 110.58 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -73.33 -16.71 61.36 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -173.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -61.76 -50.66 71.48 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 120.53 1.514 . . . . 0.0 108.552 168.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -71.87 -56.37 5.84 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.739 0.816 . . . . 0.0 109.282 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 55.8 m -74.61 60.6 0.91 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.57 1.148 . . . . 0.0 109.154 167.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -164.88 -53.35 0.02 OUTLIER Glycine 0 CA--C 1.522 0.529 0 N-CA-C 104.782 -3.327 . . . . 0.0 104.782 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -48.48 -51.76 25.6 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.234 1.013 . . . . 0.0 109.538 168.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -93.27 38.05 1.04 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.489 0.316 . . . . 0.0 111.699 173.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.54 150.65 9.02 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -178.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -75.72 64.67 1.77 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.697 0.799 . . . . 0.0 111.308 -174.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -85.51 166.92 15.9 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.141 0.977 . . . . 0.0 109.936 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -100.04 18.62 18.06 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.046 0.938 . . . . 0.0 110.257 168.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 77.5 p -134.74 148.2 50.21 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 126.323 1.849 . . . . 0.0 107.238 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 tt -129.56 125.8 37.06 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 107.329 -1.359 . . . . 0.0 107.329 -176.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 92.3 p -78.96 160.72 27.1 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -169.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.66 -51.6 62.65 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.157 0.983 . . . . 0.0 112.181 -173.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -71.72 -42.43 67.32 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.064 -1.023 . . . . 0.0 110.357 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -57.68 -37.46 73.47 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.845 -0.535 . . . . 0.0 110.098 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.481 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.5 tm? -58.16 -50.01 75.02 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 121.821 -0.549 . . . . 0.0 109.627 173.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -54.11 -42.13 69.09 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.479 176.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -57.82 -50.45 73.23 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.217 0.207 . . . . 0.0 110.765 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 tt -50.07 -54.14 22.4 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.034 0.933 . . . . 0.0 109.423 176.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 50.4 mt -59.76 -59.37 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 118.939 -0.553 . . . . 0.0 110.149 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -52.46 -39.85 61.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 119.147 0.885 . . . . 0.0 111.071 -178.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -72.97 -53.16 11.93 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -81.51 -64.83 1.1 Allowed 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 122.163 0.982 . . . . 0.0 109.648 177.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 98.2 mt -82.53 64.07 7.0 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 123.581 0.752 . . . . 0.0 109.308 -174.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.6 m -69.69 75.4 0.43 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.214 1.006 . . . . 0.0 110.192 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.463 HD12 ' H ' ' B' ' 44' ' ' ILE . 0.2 OUTLIER -46.0 149.07 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 126.292 1.837 . . . . 0.0 111.474 -177.403 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -32.28 -60.91 0.35 Allowed Glycine 0 CA--C 1.53 1.002 0 C-N-CA 126.18 1.848 . . . . 0.0 114.584 -177.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 6.6 m -98.4 6.03 47.62 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 117.822 0.811 . . . . 0.0 112.701 -177.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? 59.82 -71.1 0.03 OUTLIER 'General case' 0 C--O 1.232 0.182 0 C-N-CA 127.493 2.317 . . . . 0.0 113.214 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 64.0 mt -78.42 49.22 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 124.966 1.306 . . . . 0.0 111.32 -177.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -82.48 49.49 1.46 Allowed 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 168.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -53.44 -49.35 67.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 124.725 1.21 . . . . 0.0 112.765 -164.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.58 -46.07 63.34 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 123.749 0.656 . . . . 0.0 110.662 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.7 mp0 -66.23 -45.5 80.45 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 9.1 mm -57.72 -45.47 86.82 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.524 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 19.0 m -72.12 -33.03 45.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 120.337 1.426 . . . . 0.0 112.416 -177.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -59.33 -55.36 35.8 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.272 0.942 . . . . 0.0 109.493 169.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 tt -54.17 -45.1 72.0 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.229 0.612 . . . . 0.0 111.074 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 35.8 ttp -57.95 -49.74 75.76 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.881 1.272 . . . . 0.0 108.737 178.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -54.0 -48.2 70.66 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.339 0.518 . . . . 0.0 109.673 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.11 -38.12 85.2 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -177.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.5 mt -65.48 -66.78 0.5 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.069 0.461 . . . . 0.0 110.278 170.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -61.51 -28.02 69.01 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -169.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 9.3 ptm85 -55.72 -30.44 61.16 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.671 1.123 . . . . 0.0 110.757 -171.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -33.94 -52.62 0.44 Allowed 'General case' 0 C--N 1.344 0.349 0 C-N-CA 124.471 1.108 . . . . 0.0 113.121 169.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -137.31 53.7 1.87 Allowed 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 172.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 p30 45.99 -75.33 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.505 2.322 . . . . 0.0 115.474 174.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -75.92 -29.54 58.42 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 125.287 1.435 . . . . 0.0 111.165 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -136.7 155.83 49.34 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.995 0.518 . . . . 0.0 112.359 -174.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.59 133.39 43.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 168.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -80.7 153.06 28.09 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-N 118.628 0.649 . . . . 0.0 110.292 174.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -39.87 -55.14 2.05 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.581 1.152 . . . . 0.0 113.583 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -65.6 -38.1 88.52 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 119.162 -1.015 . . . . 0.0 111.123 -175.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -70.79 -32.4 69.49 Favored 'General case' 0 C--O 1.228 -0.061 0 CA-C-N 119.042 0.837 . . . . 0.0 111.101 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -55.09 -52.33 63.56 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 168.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.0 mm -56.21 -51.34 64.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 O-C-N 122.168 -0.333 . . . . 0.0 110.521 176.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 45.9 m -53.72 -44.95 70.3 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.385 1.074 . . . . 0.0 111.114 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -68.72 -43.69 75.44 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 123.185 0.594 . . . . 0.0 110.128 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 83.3 mt -55.93 -35.94 67.19 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.976 0.807 . . . . 0.0 109.866 170.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.24 -50.28 63.07 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 168.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.67 -48.62 74.74 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 118.347 1.073 . . . . 0.0 111.194 175.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 tp -55.9 -48.64 75.26 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.423 1.089 . . . . 0.0 109.599 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.46 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -58.31 -45.1 88.64 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.667 0.787 . . . . 0.0 110.527 175.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 30.4 ttp -62.03 -42.18 98.89 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.733 0.413 . . . . 0.0 110.762 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.12 -40.63 83.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 123.61 0.764 . . . . 0.0 109.256 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -71.49 55.94 0.24 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.843 0.857 . . . . 0.0 111.939 171.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -40.06 -43.16 1.54 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 127.334 2.254 . . . . 0.0 111.871 169.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -53.15 -49.25 66.99 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.589 0.755 . . . . 0.0 110.63 174.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.14 -38.16 90.07 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.091 -0.381 . . . . 0.0 110.198 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 30.4 mt -57.56 -45.0 85.68 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.07 0.395 . . . . 0.0 110.968 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -43.81 97.83 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 174.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.202 0 CA-C-O 118.038 -1.423 . . . . 0.0 112.995 177.845 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.2 mtt . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.09 -28.15 39.13 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.161 0.584 . . . . 0.0 112.165 -170.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.16 -51.99 22.29 Favored Pre-proline 0 N--CA 1.449 -0.485 0 C-N-CA 125.184 1.394 . . . . 0.0 113.717 -171.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -51.9 -53.91 6.19 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.487 2.792 . . . . 0.0 112.685 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.7 tp -66.05 -45.48 81.23 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.453 -0.779 . . . . 0.0 109.988 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -53.55 -50.28 65.86 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 122.301 0.24 . . . . 0.0 110.689 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -61.44 -40.74 95.55 Favored 'General case' 0 CA--C 1.528 0.107 0 O-C-N 122.141 -0.35 . . . . 0.0 110.719 178.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.11 -54.91 34.53 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 121.918 -0.489 . . . . 0.0 111.716 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.9 pt -58.5 -42.86 85.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.1 -43.62 18.22 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 125.019 1.295 . . . . 0.0 112.512 170.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.42 -59.71 5.01 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.282 1.041 . . . . 0.0 109.973 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -51.27 -49.51 61.05 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.555 0.742 . . . . 0.0 109.842 178.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.17 -49.77 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.093 -176.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.08 -54.73 34.69 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 125.06 1.314 . . . . 0.0 109.982 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mt -49.9 -57.39 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -51.57 -59.27 4.46 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.851 0.358 . . . . 0.0 110.996 -177.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -69.31 -29.74 67.65 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -171.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -58.66 -48.35 81.37 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.635 0.652 . . . . 0.0 109.538 171.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -62.64 -48.99 76.95 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.219 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.7 m -46.84 -47.31 21.22 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 119.144 0.884 . . . . 0.0 110.298 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -41.44 -29.9 0.47 Allowed Glycine 0 CA--C 1.53 0.976 0 C-N-CA 126.463 1.982 . . . . 0.0 114.538 177.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -49.26 -47.73 46.41 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.716 1.258 . . . . 0.0 111.052 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -99.36 -39.57 8.33 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.817 0.847 . . . . 0.0 110.985 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.7 164.17 24.98 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 110.159 -1.176 . . . . 0.0 110.159 176.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -73.27 70.64 1.17 Allowed 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.69 -0.888 . . . . 0.0 110.929 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -104.39 150.96 24.05 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.926 1.69 . . . . 0.0 109.792 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -85.84 25.51 1.1 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.288 1.035 . . . . 0.0 111.433 174.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 p -142.46 114.23 8.04 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.64 1.576 . . . . 0.0 108.41 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.84 153.79 22.0 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 168.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.4 t -94.45 -179.29 4.85 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.638 0.654 . . . . 0.0 109.654 169.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -64.16 -67.53 0.42 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.647 1.179 . . . . 0.0 111.214 -169.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -60.68 -33.31 72.67 Favored 'General case' 0 C--O 1.226 -0.184 0 O-C-N 121.696 -0.628 . . . . 0.0 110.347 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -61.24 -47.11 87.58 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.111 0.564 . . . . 0.0 110.472 176.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.545 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.0 tm? -56.91 -48.6 77.85 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.693 -0.629 . . . . 0.0 109.372 171.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -54.75 -44.34 73.51 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.147 -0.971 . . . . 0.0 110.805 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -54.92 -52.46 62.85 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.351 1.461 . . . . 0.0 110.348 175.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -46.07 -53.43 10.24 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.803 0.841 . . . . 0.0 109.873 172.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.6 mt -63.71 -44.36 98.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.941 -0.474 . . . . 0.0 111.482 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -61.79 -44.66 96.43 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.909 -0.494 . . . . 0.0 109.694 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -78.9 -42.5 27.04 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 111.463 0.171 . . . . 0.0 111.463 -172.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -79.95 -60.12 2.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.8 mt -80.25 -47.32 14.78 Favored 'General case' 0 N--CA 1.461 0.102 0 O-C-N 121.899 -0.501 . . . . 0.0 110.402 -169.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.1 m 62.18 64.67 0.95 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.547 0.689 . . . . 0.0 111.159 172.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -12.25 11.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -177.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.16 -71.73 1.45 Allowed Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.292 0.948 . . . . 0.0 113.015 169.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.9 m -71.25 87.63 0.82 Allowed 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 122.179 -0.6 . . . . 0.0 109.529 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -56.86 -10.92 1.2 Allowed 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -171.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tt -48.05 -37.27 14.61 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.523 -0.736 . . . . 0.0 109.388 166.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -61.36 -15.79 39.7 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.501 1.12 . . . . 0.0 113.298 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.86 -39.28 25.17 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 119.902 1.228 . . . . 0.0 112.427 -175.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.28 -48.71 68.11 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.384 0.611 . . . . 0.0 111.104 173.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -61.39 -46.0 92.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.4 mm -55.7 -47.04 79.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-O 118.777 -0.63 . . . . 0.0 110.505 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.25 23.9 m -71.82 -32.21 43.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 119.466 1.03 . . . . 0.0 112.241 -177.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -59.62 -51.02 71.61 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.217 0.917 . . . . 0.0 109.251 169.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tt -55.0 -44.3 74.38 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.642 0.777 . . . . 0.0 111.202 176.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 62.6 ttp -58.02 -51.35 70.02 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.514 1.125 . . . . 0.0 108.984 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -52.52 -49.41 64.87 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 123.086 0.555 . . . . 0.0 109.926 175.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -60.22 -38.21 82.68 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.86 -0.525 . . . . 0.0 111.692 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mt -66.74 -52.63 42.2 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.318 0.647 . . . . 0.0 111.436 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -72.58 -33.72 66.96 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 121.843 -0.536 . . . . 0.0 112.094 -173.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.3 tpt85 -53.3 -37.95 62.69 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 123.098 0.559 . . . . 0.0 111.09 -169.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -50.05 -32.75 16.28 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.047 0.939 . . . . 0.0 112.166 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -137.45 56.82 1.76 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 168.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 p30 49.25 -87.68 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.634 1.973 . . . . 0.0 113.723 176.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -90.7 -35.0 15.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.514 1.126 . . . . 0.0 111.183 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -93.01 124.44 36.98 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.573 0.701 . . . . 0.0 110.177 -169.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.9 t -79.18 91.08 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 168.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -77.5 145.25 37.12 Favored 'General case' 0 CA--C 1.528 0.111 0 O-C-N 122.138 -0.352 . . . . 0.0 110.189 -175.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -45.62 -58.07 3.71 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -170.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -61.66 -34.67 76.13 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.022 -1.049 . . . . 0.0 110.828 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -68.0 -39.72 83.15 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.189 0.596 . . . . 0.0 109.41 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -55.48 -52.81 62.41 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.876 0.471 . . . . 0.0 110.304 169.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.8 mm -56.75 -52.09 58.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 118.462 0.573 . . . . 0.0 110.417 178.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.5 m -53.1 -48.7 67.58 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.169 0.988 . . . . 0.0 110.41 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -62.0 -44.24 97.14 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 119.167 -0.444 . . . . 0.0 110.43 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.15 -35.25 69.29 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.381 0.991 . . . . 0.0 110.202 173.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.59 -50.74 62.69 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 169.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.7 -47.47 79.85 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.538 -0.978 . . . . 0.0 111.201 176.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.5 tp -53.74 -49.58 67.86 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.433 1.493 . . . . 0.0 109.512 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -58.22 -44.39 88.19 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.024 0.929 . . . . 0.0 111.136 176.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 20.7 ttt -64.66 -41.24 96.24 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.992 -0.443 . . . . 0.0 111.046 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.45 -42.21 92.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 C-N-CA 124.371 1.068 . . . . 0.0 109.046 174.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.5 m-30 -72.11 57.59 0.35 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.349 0.66 . . . . 0.0 109.697 169.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -56.56 -35.24 67.92 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.363 -0.836 . . . . 0.0 111.892 -171.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -47.52 -43.74 25.09 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.482 1.113 . . . . 0.0 111.387 171.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.42 91.26 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 122.908 0.483 . . . . 0.0 110.852 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.21 -51.38 68.03 Favored 'General case' 0 CA--C 1.528 0.108 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 175.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.96 -36.71 70.62 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 176.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.224 0 CA-C-O 117.166 -1.908 . . . . 0.0 114.415 -178.113 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mpp? . . . . . 0 N--CA 1.473 0.711 0 CA-C-O 121.529 0.681 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.29 -29.71 70.03 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -38.87 -58.52 1.67 Allowed Pre-proline 0 CA--C 1.541 0.618 0 C-N-CA 126.247 1.819 . . . . 0.0 114.697 -172.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -46.15 -44.54 19.41 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.988 3.125 . . . . 0.0 114.229 174.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 tp -75.19 -46.03 36.7 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.977 0.808 . . . . 0.0 109.553 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -51.03 -48.19 61.52 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 123.444 0.698 . . . . 0.0 110.714 -177.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -61.14 -40.11 92.61 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 117.914 0.324 . . . . 0.0 111.301 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.36 -54.67 25.51 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.831 -0.543 . . . . 0.0 110.886 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 42.5 pt -58.13 -42.48 83.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 120.03 -0.668 . . . . 0.0 109.217 175.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.15 -43.76 13.85 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 126.016 1.769 . . . . 0.0 112.276 170.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.68 -61.08 2.88 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.802 0.841 . . . . 0.0 109.864 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -52.25 -46.22 65.69 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.767 0.827 . . . . 0.0 110.127 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.464 HD11 ' HB1' ' A' ' 81' ' ' ALA . 59.5 mt -58.5 -54.41 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 123.737 0.815 . . . . 0.0 109.846 -178.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.83 -52.21 53.52 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mt -47.88 -48.9 11.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 123.405 0.682 . . . . 0.0 110.083 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -66.95 -64.14 0.91 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.21 0.529 . . . . 0.0 111.759 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.97 -31.05 70.64 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -166.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -63.83 -46.31 85.62 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 120.24 -0.584 . . . . 0.0 109.836 172.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -71.25 -44.22 65.7 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 119.255 -0.402 . . . . 0.0 111.879 -175.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.9 p -62.04 -46.96 86.85 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 119.261 0.937 . . . . 0.0 109.413 171.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.17 -47.16 8.25 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.27 0.938 . . . . 0.0 112.037 173.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -51.55 -35.08 39.47 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.932 0.893 . . . . 0.0 112.454 177.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.54 25.51 11.62 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.382 1.073 . . . . 0.0 111.962 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.51 -38.37 1.22 Allowed Glycine 0 CA--C 1.531 1.048 0 CA-C-O 118.782 -1.01 . . . . 0.0 115.573 168.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -77.95 53.71 1.2 Allowed 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.392 1.596 . . . . 0.0 114.201 -167.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm 11.17 -82.86 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 129.236 3.014 . . . . 0.0 116.124 175.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -94.08 14.74 18.95 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 -169.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t -138.05 148.01 44.65 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 124.487 1.115 . . . . 0.0 110.46 173.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 tt -133.72 121.23 21.63 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -169.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 25.3 p -78.91 170.82 16.09 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.508 0.67 . . . . 0.0 111.83 -171.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -57.43 -62.39 1.81 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.619 1.168 . . . . 0.0 112.221 -168.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -70.25 -30.76 67.88 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.639 -0.663 . . . . 0.0 110.487 -175.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -61.26 -43.37 98.99 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.461 -0.774 . . . . 0.0 109.501 173.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.439 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.7 tm? -59.23 -48.37 81.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 173.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -50.71 -46.41 58.94 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.489 -0.757 . . . . 0.0 110.666 175.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -58.9 -47.52 84.69 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 122.661 0.384 . . . . 0.0 110.869 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tt -50.8 -54.57 22.48 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.348 0.659 . . . . 0.0 110.03 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 80.5 mt -59.29 -53.58 46.13 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -56.86 -28.76 62.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 123.318 0.647 . . . . 0.0 111.721 -175.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -78.85 -58.3 3.31 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.439 0.563 . . . . 0.0 112.179 170.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -68.83 -69.57 0.32 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 122.753 1.264 . . . . 0.0 108.922 -175.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 65.7 mt -87.94 63.31 7.31 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 -176.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.5 t -69.63 88.37 0.51 Allowed 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 122.187 0.994 . . . . 0.0 111.912 -169.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.91 78.58 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 124.133 0.973 . . . . 0.0 111.732 174.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.0 -40.23 9.66 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 169.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.1 m -66.03 68.07 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.394 1.478 . . . . 0.0 110.169 168.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -33.09 9.15 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.415 1.486 . . . . 0.0 114.458 -169.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 81.3 mt -51.06 -39.77 56.77 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.198 0.523 . . . . 0.0 111.527 175.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -62.45 -11.27 15.02 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.468 0.707 . . . . 0.0 112.357 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -53.6 -27.05 24.55 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.079 0.854 . . . . 0.0 111.234 169.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.46 -47.49 72.87 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.293 0.497 . . . . 0.0 111.245 169.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -63.12 -43.46 98.34 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 37.5 mm -56.08 -43.95 77.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 CA-C-O 117.943 -1.027 . . . . 0.0 111.525 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 m -65.45 -33.05 61.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 120.88 1.673 . . . . 0.0 112.291 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -62.0 -50.3 72.59 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.116 -0.99 . . . . 0.0 109.779 171.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.27 -39.63 83.53 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.939 -0.476 . . . . 0.0 111.439 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.0 ttp -58.04 -53.46 58.05 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 125.085 1.354 . . . . 0.0 108.735 173.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -50.8 -50.65 55.74 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -55.53 -52.29 64.2 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 117.807 0.276 . . . . 0.0 111.04 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mt -53.7 -57.55 10.41 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 123.61 0.764 . . . . 0.0 111.624 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -63.77 -38.96 93.06 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 121.736 -0.602 . . . . 0.0 110.891 -178.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -59.01 -37.04 75.98 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.967 0.907 . . . . 0.0 110.022 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -47.67 -28.42 2.4 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.036 0.935 . . . . 0.0 111.709 174.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -140.44 59.47 1.55 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 166.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.288 3.6 p30 60.33 -61.32 0.07 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 127.828 2.451 . . . . 0.0 116.473 171.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -133.94 -37.36 0.9 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.376 1.07 . . . . 0.0 113.773 -169.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -133.29 128.62 36.18 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 -178.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 14.5 p -76.65 118.15 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -170.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -84.25 148.65 26.58 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -44.24 -60.46 1.9 Allowed 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -169.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -59.61 -38.59 81.68 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.322 -0.861 . . . . 0.0 110.909 -176.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 -66.23 -40.11 90.03 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.448 1.099 . . . . 0.0 110.549 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -55.46 -50.17 70.58 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.843 -0.535 . . . . 0.0 110.051 170.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.4 mm -57.6 -47.95 84.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.6 m -52.01 -47.71 64.82 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.964 0.906 . . . . 0.0 110.431 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -63.95 -45.06 90.85 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 122.671 0.388 . . . . 0.0 110.589 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.8 mt -57.42 -34.69 69.19 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.151 -0.968 . . . . 0.0 110.489 173.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.75 -49.42 70.6 Favored Glycine 0 CA--C 1.532 1.14 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 168.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.14 -50.89 63.62 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 117.368 0.584 . . . . 0.0 110.648 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.9 tp -56.4 -45.17 80.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.156 0.983 . . . . 0.0 110.312 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.77 89.04 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.348 0.659 . . . . 0.0 111.046 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 27.4 ptm -68.64 -33.24 73.66 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.133 0.879 . . . . 0.0 112.471 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 70.5 mt -56.41 -44.26 79.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -73.54 50.33 0.32 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.799 0.839 . . . . 0.0 111.342 169.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -41.15 -40.55 1.56 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 127.3 2.24 . . . . 0.0 112.127 171.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -54.47 -45.37 73.15 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.42 0.688 . . . . 0.0 111.151 176.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.75 94.2 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.942 0.497 . . . . 0.0 110.182 176.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.82 -51.71 68.81 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.927 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -66.78 -43.16 84.71 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.622 0.249 . . . . 0.0 110.748 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.26 0 CA-C-O 117.432 -1.76 . . . . 0.0 111.25 -178.484 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.5 mtp . . . . . 0 N--CA 1.472 0.668 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 74.66 -57.78 0.6 Allowed 'General case' 0 C--O 1.233 0.199 0 C-N-CA 128.008 2.523 . . . . 0.0 110.233 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -41.95 -48.26 10.81 Favored Pre-proline 0 CA--C 1.536 0.436 0 C-N-CA 125.172 1.389 . . . . 0.0 113.744 -176.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.82 -37.17 97.39 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.5 2.133 . . . . 0.0 113.284 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.1 tp -81.22 -46.43 14.84 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 118.349 0.522 . . . . 0.0 109.733 174.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -50.29 -45.56 54.6 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 123.819 0.848 . . . . 0.0 110.543 -176.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -59.98 -38.48 82.67 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 117.987 0.358 . . . . 0.0 111.707 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.6 -53.96 13.9 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.717 -0.614 . . . . 0.0 110.551 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.4 pt -57.93 -41.56 80.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 119.726 -0.789 . . . . 0.0 109.1 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.52 -43.21 20.65 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 125.852 1.691 . . . . 0.0 112.243 169.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.48 -60.36 3.97 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.548 1.174 . . . . 0.0 109.962 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -50.85 -47.63 60.21 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 123.442 0.697 . . . . 0.0 110.219 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.492 HD11 ' HB1' ' B' ' 81' ' ' ALA . 61.6 mt -61.45 -49.19 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.253 0.621 . . . . 0.0 109.648 -179.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.54 -53.43 46.04 Favored Glycine 0 CA--C 1.522 0.522 0 C-N-CA 124.427 1.013 . . . . 0.0 110.6 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.1 mt -49.55 -55.12 5.08 Favored 'Isoleucine or valine' 0 C--N 1.339 0.119 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 175.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -53.6 -55.85 22.22 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.331 0.586 . . . . 0.0 111.475 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.4 -19.82 65.45 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 118.089 -0.958 . . . . 0.0 113.545 -170.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -58.72 -52.31 66.23 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.343 1.429 . . . . 0.0 108.959 168.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -75.38 -40.89 57.51 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.726 -173.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 m -63.51 -36.83 85.07 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.22 -0.925 . . . . 0.0 110.602 170.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.86 -58.44 4.86 Favored Glycine 0 C--N 1.336 0.557 0 C-N-CA 125.69 1.614 . . . . 0.0 109.922 169.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -45.84 -49.2 15.56 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.075 0.95 . . . . 0.0 111.776 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -89.92 36.32 0.86 Allowed 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 177.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.91 43.84 7.45 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 123.97 0.795 . . . . 0.0 112.852 169.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.42 46.95 17.31 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 126.31 1.844 . . . . 0.0 113.597 170.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -76.84 177.17 7.86 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.257 0.551 . . . . 0.0 110.051 175.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -108.15 38.89 2.08 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 169.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.7 m -158.47 152.64 24.03 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.429 1.892 . . . . 0.0 106.037 -172.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.4 mt -122.3 140.23 52.87 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 170.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.2 m -77.2 151.26 35.29 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 168.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -49.14 -40.98 34.68 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -168.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -74.85 -32.36 61.9 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.778 -0.576 . . . . 0.0 111.464 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.87 -44.77 92.11 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 173.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.586 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.5 tm? -54.95 -49.87 70.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 170.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -54.74 -42.27 71.42 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.326 -0.859 . . . . 0.0 110.292 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -58.12 -50.29 74.0 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.375 0.534 . . . . 0.0 111.126 175.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -46.54 -54.13 9.95 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.423 0.689 . . . . 0.0 110.016 172.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.5 mt -61.15 -55.75 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 O-C-N 122.102 -0.374 . . . . 0.0 110.608 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -53.69 -39.82 65.48 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 122.528 0.331 . . . . 0.0 111.136 -176.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -77.97 -56.19 4.69 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.88 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -75.01 -55.48 5.7 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.047 0.451 . . . . 0.0 110.089 -171.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.0 mt -87.8 69.65 9.55 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.31 66.31 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.312 1.445 . . . . 0.0 114.691 -168.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.86 81.81 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 O-C-N 121.034 -1.041 . . . . 0.0 109.569 169.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.94 -29.3 8.17 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.896 1.236 . . . . 0.0 112.07 170.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 p -67.25 66.65 0.07 Allowed 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 126.224 1.81 . . . . 0.0 110.352 169.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -57.62 -15.63 8.09 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -174.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.1 mt -51.03 -36.68 40.89 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.0 -1.062 . . . . 0.0 110.821 169.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -64.42 -10.6 26.07 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.561 0.744 . . . . 0.0 112.957 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -50.4 -34.34 24.0 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 119.502 1.046 . . . . 0.0 111.474 177.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.8 -49.26 71.42 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.247 0.476 . . . . 0.0 111.312 172.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -60.18 -47.3 86.53 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 176.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.7 mm -54.74 -43.3 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.985 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.326 13.5 m -69.41 -32.93 55.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 120.362 1.437 . . . . 0.0 113.069 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -62.82 -47.55 82.91 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 119.072 -1.051 . . . . 0.0 109.318 169.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.83 -45.14 82.54 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.732 -0.605 . . . . 0.0 112.036 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.408 ' HB2' HD12 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -68.97 -36.64 78.12 Favored 'General case' 0 C--N 1.34 0.159 0 O-C-N 121.073 -1.017 . . . . 0.0 109.706 -179.302 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -54.89 -53.08 60.09 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 171.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -53.42 -51.93 61.02 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.563 0.345 . . . . 0.0 111.55 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mt -53.69 -54.46 37.54 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 122.941 0.496 . . . . 0.0 111.099 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -31.11 63.5 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.965 -0.54 . . . . 0.0 112.0 -170.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -48.14 -42.89 30.56 Favored 'General case' 0 C--N 1.338 0.107 0 C-N-CA 124.276 1.03 . . . . 0.0 110.47 -173.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -43.05 -39.85 2.88 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.461 1.104 . . . . 0.0 112.498 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -138.5 60.44 1.61 Allowed 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 169.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 13.37 88.75 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 128.04 2.536 . . . . 0.0 114.824 173.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 96.57 -27.48 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 128.144 2.578 . . . . 0.0 112.621 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -103.54 108.14 19.28 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.992 0.917 . . . . 0.0 109.426 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.3 t -78.63 93.44 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 173.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -77.13 146.67 37.02 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.835 -0.541 . . . . 0.0 109.933 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -43.55 -51.47 6.8 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.034 0.934 . . . . 0.0 113.399 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -57.85 -43.73 86.07 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.372 0.606 . . . . 0.0 110.033 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -70.43 -37.62 74.42 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.515 0.726 . . . . 0.0 110.169 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -53.84 -53.84 46.9 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.189 0.596 . . . . 0.0 110.132 169.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.0 mm -59.2 -50.28 80.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 118.502 0.592 . . . . 0.0 110.381 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 50.8 m -51.27 -46.84 62.55 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.495 0.718 . . . . 0.0 110.765 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -65.77 -43.12 89.79 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.165 0.586 . . . . 0.0 110.551 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.4 mt -56.56 -35.27 67.95 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.594 1.088 . . . . 0.0 110.289 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.56 -49.79 67.26 Favored Glycine 0 CA--C 1.533 1.161 0 N-CA-C 111.374 -0.691 . . . . 0.0 111.374 168.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.77 -45.35 78.14 Favored 'General case' 0 C--O 1.224 -0.26 0 O-C-N 121.849 -0.795 . . . . 0.0 111.133 173.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.5 tp -58.26 -45.95 86.88 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.407 1.083 . . . . 0.0 109.809 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.8 -52.12 65.08 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.534 0.733 . . . . 0.0 110.423 173.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -57.32 -41.0 79.09 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.984 0.514 . . . . 0.0 111.701 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.6 mt -68.5 -45.49 81.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 125.013 1.325 . . . . 0.0 110.458 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -52.68 -47.36 67.25 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 171.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 73.05 -57.53 0.63 Allowed 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 125.471 1.508 . . . . 0.0 113.73 167.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -50.14 -40.34 46.04 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.194 0.597 . . . . 0.0 109.949 174.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.49 -42.87 7.48 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.186 1.394 . . . . 0.0 112.329 173.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 40.5 mt -61.75 -35.99 79.7 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.231 0.613 . . . . 0.0 110.964 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.73 -53.0 6.57 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -177.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.214 0 CA-C-O 117.808 -1.551 . . . . 0.0 111.112 -179.451 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 110.568 -0.16 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.18 -26.13 62.83 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -174.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.94 -54.45 4.31 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 126.224 1.81 . . . . 0.0 114.41 -170.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.93 -45.59 39.75 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.472 2.781 . . . . 0.0 111.901 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 56.8 tp -67.95 -46.18 72.17 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -52.92 -50.19 64.45 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 122.924 0.489 . . . . 0.0 110.611 -178.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -61.08 -41.05 95.91 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.121 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.33 -54.85 34.49 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.723 -0.611 . . . . 0.0 111.982 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 32.2 pt -57.43 -43.58 82.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.43 -42.4 13.44 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 125.427 1.489 . . . . 0.0 112.492 171.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -60.4 3.89 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.127 0.963 . . . . 0.0 109.928 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -51.44 -48.12 62.82 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.451 0.701 . . . . 0.0 110.213 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.41 -56.34 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 123.863 0.865 . . . . 0.0 108.983 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.04 -52.1 41.94 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 124.39 0.995 . . . . 0.0 111.261 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mt -51.11 -52.94 16.53 Favored 'Isoleucine or valine' 0 C--N 1.34 0.156 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -57.36 -61.78 2.24 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 120.813 0.339 . . . . 0.0 111.636 -177.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -68.67 -23.21 64.37 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -169.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -59.59 -51.07 71.39 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 120.032 1.287 . . . . 0.0 109.428 169.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -64.36 -41.51 96.68 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 119.142 -0.456 . . . . 0.0 111.451 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 15.4 m -55.27 -52.94 61.79 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.944 0.793 . . . . 0.0 110.172 171.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.5 -43.24 52.36 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 125.801 1.667 . . . . 0.0 111.634 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -51.82 -34.22 39.34 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 117.459 0.63 . . . . 0.0 112.469 177.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -113.66 21.61 14.87 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.669 0.787 . . . . 0.0 111.222 175.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.49 18.52 5.3 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.626 1.584 . . . . 0.0 114.412 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -85.78 39.56 0.81 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.06 1.43 . . . . 0.0 111.924 -168.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 63.2 mttm 27.03 -90.56 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 128.209 2.604 . . . . 0.0 115.748 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -113.87 25.96 10.74 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.831 1.252 . . . . 0.0 112.014 -172.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 97.6 m -140.85 158.89 43.31 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.309 1.444 . . . . 0.0 108.608 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 94.5 mt -124.49 139.27 54.04 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 124.84 1.256 . . . . 0.0 107.67 169.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.3 t -79.34 153.3 29.9 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 168.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -50.93 -46.3 60.83 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.54 0.736 . . . . 0.0 112.796 -171.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -71.7 -29.48 64.61 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.186 -0.946 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -66.14 -41.85 89.9 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.521 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.0 tm? -56.04 -48.89 75.15 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 170.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -53.21 -48.2 68.32 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 120.91 -1.119 . . . . 0.0 110.589 175.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -54.58 -47.06 73.75 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 122.537 0.335 . . . . 0.0 110.932 177.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 tt -51.09 -54.18 27.34 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 124.148 0.979 . . . . 0.0 109.514 174.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 47.5 mt -59.6 -49.45 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 O-C-N 122.056 -0.403 . . . . 0.0 110.995 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -57.62 -42.26 82.99 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 122.209 -0.307 . . . . 0.0 110.813 -177.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -74.93 -51.19 14.41 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.617 0.644 . . . . 0.0 112.125 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -80.37 -45.41 17.77 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.321 0.648 . . . . 0.0 112.245 -169.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mp -92.03 -49.26 6.3 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.215 0.606 . . . . 0.0 109.504 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.7 m 60.01 67.71 0.84 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.843 0.857 . . . . 0.0 111.958 174.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 pp -69.71 75.01 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 O-C-N 121.764 -0.585 . . . . 0.0 110.378 170.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -39.99 -41.23 1.92 Allowed Glycine 0 CA--C 1.53 0.995 0 C-N-CA 126.445 1.974 . . . . 0.0 113.838 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -64.29 76.88 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.061 0.944 . . . . 0.0 110.726 170.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -43.38 -29.07 0.39 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.673 1.989 . . . . 0.0 115.479 -172.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 82.7 mt -48.15 -39.81 21.84 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.423 1.01 . . . . 0.0 111.417 173.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -56.18 -17.51 7.53 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.111 0.964 . . . . 0.0 113.055 177.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -47.61 -35.73 9.69 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.58 1.082 . . . . 0.0 111.196 171.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.12 78.26 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.049 0.452 . . . . 0.0 111.296 172.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -60.59 -45.88 92.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 18.1 mm -57.29 -42.14 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-O 117.605 -1.188 . . . . 0.0 111.311 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 m -68.73 -36.85 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 121.138 1.79 . . . . 0.0 112.47 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.51 -52.22 66.5 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.106 0.866 . . . . 0.0 109.696 173.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.54 -42.95 79.35 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.625 1.17 . . . . 0.0 111.245 177.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 60.9 ttp -58.07 -49.22 77.67 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.85 1.26 . . . . 0.0 108.551 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -56.49 -49.17 75.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 176.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -56.55 -41.69 77.26 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 122.023 -0.423 . . . . 0.0 112.102 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.53 -51.69 64.38 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.851 0.86 . . . . 0.0 110.689 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.45 -27.28 56.11 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -170.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 45.2 ttm180 -51.27 -41.53 60.47 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.654 0.781 . . . . 0.0 110.514 -176.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -52.8 -31.72 40.15 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.272 1.029 . . . . 0.0 112.061 -177.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -132.2 59.83 1.7 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 168.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.278 3.3 p30 57.23 -74.72 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 127.525 2.33 . . . . 0.0 114.258 175.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -137.44 12.48 3.0 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.398 1.479 . . . . 0.0 111.688 -174.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -132.92 158.72 41.88 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 169.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 3.1 t -107.06 106.24 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 125.138 1.375 . . . . 0.0 107.525 177.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -80.53 152.22 28.77 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.835 -0.54 . . . . 0.0 110.215 174.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -43.47 -60.65 1.65 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -170.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.84 -36.02 82.53 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 118.99 -1.084 . . . . 0.0 110.599 -174.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -62.76 -41.85 99.41 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.26 0.624 . . . . 0.0 109.731 177.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -54.06 -53.51 52.09 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 117.831 0.287 . . . . 0.0 110.795 170.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.3 mm -56.36 -49.46 76.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 118.006 0.366 . . . . 0.0 110.087 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 48.9 m -53.31 -49.91 66.03 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.399 1.079 . . . . 0.0 110.162 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -61.03 -46.22 91.59 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 119.307 -0.377 . . . . 0.0 110.454 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 61.4 mt -56.79 -35.47 68.75 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.057 0.844 . . . . 0.0 110.5 174.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.67 -51.94 53.63 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 169.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.68 -46.03 81.39 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 117.76 0.78 . . . . 0.0 111.25 176.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.3 tp -55.17 -49.35 72.07 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.654 1.182 . . . . 0.0 109.711 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.492 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -60.07 -41.65 92.87 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.494 0.718 . . . . 0.0 111.148 177.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.06 -47.0 86.62 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 71.2 mt -56.51 -40.45 68.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -72.31 60.04 0.43 Allowed 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.812 -0.555 . . . . 0.0 111.563 171.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -48.71 -33.41 10.09 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.232 -0.918 . . . . 0.0 111.682 169.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -55.13 -46.72 75.64 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.486 0.714 . . . . 0.0 110.328 173.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.89 82.95 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.888 0.475 . . . . 0.0 110.052 177.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 55.2 mt -53.1 -51.69 61.06 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 117.692 0.224 . . . . 0.0 110.853 176.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -64.9 -46.87 79.94 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 117.09 -1.95 . . . . 0.0 111.384 179.76 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.7 mtt . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 110.457 -0.201 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 69.8 -65.11 0.32 Allowed 'General case' 0 C--N 1.34 0.172 0 C-N-CA 129.405 3.082 . . . . 0.0 110.071 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.42 -49.43 4.91 Favored Pre-proline 0 N--CA 1.449 -0.505 0 C-N-CA 128.372 2.669 . . . . 0.0 113.87 -177.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -61.52 -46.67 13.69 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.226 1.951 . . . . 0.0 112.607 -174.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.3 tp -77.69 -44.63 27.35 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -51.18 -47.17 62.25 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.588 0.755 . . . . 0.0 110.81 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -62.26 -36.1 81.0 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 119.855 -0.738 . . . . 0.0 111.558 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.52 -53.05 17.73 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.758 -0.589 . . . . 0.0 110.785 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.5 pt -58.03 -41.98 81.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.93 -46.07 25.85 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.978 1.275 . . . . 0.0 112.141 170.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.47 ' CD1' HD12 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -56.77 -59.63 4.74 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.227 1.013 . . . . 0.0 110.051 179.375 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -50.41 -50.39 51.95 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 123.334 0.654 . . . . 0.0 109.748 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.66 -46.28 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.97 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.06 -54.95 33.75 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.47 HD12 ' CD1' ' A' ' 11' ' ' LEU . 3.8 mt -51.58 -53.55 15.96 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 CA-C-N 117.386 0.593 . . . . 0.0 109.419 178.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -55.72 -63.16 1.26 Allowed 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.845 -178.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -72.64 -22.71 60.9 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 119.218 -0.42 . . . . 0.0 111.96 -169.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -59.52 -50.1 75.2 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 169.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -60.34 -46.93 88.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.475 -0.774 . . . . 0.0 111.426 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 m -50.0 -54.46 19.97 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.164 0.893 . . . . 0.0 110.721 172.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.35 -40.16 60.5 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 125.566 1.555 . . . . 0.0 112.074 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -47.37 -36.21 9.28 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.877 0.871 . . . . 0.0 112.306 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -123.11 30.12 6.48 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.2 0.6 . . . . 0.0 111.322 176.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.64 34.44 20.8 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.757 1.17 . . . . 0.0 113.61 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -82.64 160.09 22.54 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 117.518 0.659 . . . . 0.0 109.259 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -73.71 -161.39 0.11 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.672 0.789 . . . . 0.0 109.991 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -75.02 59.57 0.94 Allowed 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.326 -0.859 . . . . 0.0 111.502 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 t -156.18 164.6 38.17 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 126.56 1.944 . . . . 0.0 106.724 -176.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.7 mt -132.99 149.81 52.21 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.372 1.069 . . . . 0.0 109.018 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.2 p -95.34 178.75 5.41 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.93 1.292 . . . . 0.0 111.019 175.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -60.48 -68.15 0.33 Allowed 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.16 0.984 . . . . 0.0 112.088 -170.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -63.42 -35.9 81.95 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.785 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -56.79 -49.19 76.06 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.03 0.532 . . . . 0.0 109.729 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.498 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.6 tm? -59.81 -48.38 81.92 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -55.66 -42.21 74.75 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 119.298 -0.961 . . . . 0.0 110.603 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -62.54 -38.54 90.41 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.241 1.016 . . . . 0.0 111.193 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 tt -55.31 -54.18 46.84 Favored 'General case' 0 C--N 1.338 0.098 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 169.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.2 mt -62.78 -46.95 95.06 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 CA-C-O 119.015 -0.517 . . . . 0.0 111.306 -175.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -58.36 -40.4 82.15 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 119.524 1.057 . . . . 0.0 111.069 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.31 -54.67 18.65 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.336 0.516 . . . . 0.0 110.055 177.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -75.24 -46.51 33.36 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -169.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.9 mt -115.42 73.19 0.82 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 125.648 1.579 . . . . 0.0 107.345 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.4 m -76.41 66.03 2.39 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.34 0.656 . . . . 0.0 110.534 -174.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.42 126.93 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 O-C-N 121.774 -0.579 . . . . 0.0 109.847 178.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.8 -30.22 77.39 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 t -73.0 70.38 1.03 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.945 0.898 . . . . 0.0 110.609 -178.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -60.02 -19.41 52.54 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.719 -0.613 . . . . 0.0 111.785 176.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.0 mt -51.26 -32.32 24.04 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.317 0.647 . . . . 0.0 111.53 169.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -84.39 10.13 11.47 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.434 0.693 . . . . 0.0 112.164 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -47.19 -43.39 21.38 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 119.385 0.993 . . . . 0.0 111.493 171.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.73 -48.77 40.33 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.683 1.193 . . . . 0.0 111.28 172.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -65.1 -42.36 94.11 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.0 mm -57.79 -47.57 85.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 118.969 -0.538 . . . . 0.0 110.604 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.1 m -66.69 -36.6 77.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 119.68 1.127 . . . . 0.0 111.664 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -58.79 -51.45 69.93 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.025 0.829 . . . . 0.0 110.194 172.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.64 -45.17 73.72 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.277 1.031 . . . . 0.0 110.877 176.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -60.2 -47.59 85.33 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.748 0.819 . . . . 0.0 109.569 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -54.05 -52.8 59.74 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -53.3 -49.13 67.63 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.966 0.506 . . . . 0.0 111.019 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mt -50.97 -60.89 2.61 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.435 0.694 . . . . 0.0 110.409 175.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -73.51 -24.93 60.23 Favored 'General case' 0 CA--C 1.527 0.093 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -171.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -53.33 -36.0 60.81 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.533 0.733 . . . . 0.0 110.654 -176.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -44.75 -38.59 4.56 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.571 1.149 . . . . 0.0 112.51 175.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -131.01 54.01 1.94 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.962 0.887 . . . . 0.0 109.649 169.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.2 p30 54.01 -17.6 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 119.568 3.173 . . . . 0.0 119.568 167.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -166.92 -39.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 120.313 1.415 . . . . 0.0 111.251 -170.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -110.78 146.34 36.55 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 172.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.6 p -93.53 126.44 45.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 168.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -88.16 160.27 17.82 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -44.79 -61.79 1.46 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -175.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -63.66 -32.82 74.42 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.087 -1.008 . . . . 0.0 110.907 -175.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -62.14 -45.66 92.44 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -54.42 -52.07 62.91 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.681 0.793 . . . . 0.0 110.422 173.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.0 mm -57.52 -51.13 73.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 118.507 0.594 . . . . 0.0 110.608 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.1 m -54.1 -47.92 71.26 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.654 0.781 . . . . 0.0 110.06 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -60.86 -44.74 96.6 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 119.112 -0.471 . . . . 0.0 110.39 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.0 mt -56.78 -34.96 68.15 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.357 0.981 . . . . 0.0 110.62 173.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.38 -52.01 54.23 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 121.733 -0.604 . . . . 0.0 111.601 169.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.57 -44.64 77.04 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.76 -0.847 . . . . 0.0 111.19 175.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.9 tp -58.95 -44.73 91.48 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.538 1.135 . . . . 0.0 109.895 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.75 90.59 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.553 0.741 . . . . 0.0 110.947 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 68.6 mtm -59.06 -45.38 90.95 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.489 0.586 . . . . 0.0 111.515 173.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 80.3 mt -58.5 -44.87 89.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -73.08 54.02 0.38 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.733 0.813 . . . . 0.0 110.05 171.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -57.65 -30.95 65.83 Favored 'General case' 0 N--CA 1.457 -0.109 0 O-C-N 121.271 -0.893 . . . . 0.0 112.613 -169.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -46.2 -43.79 15.57 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.327 1.051 . . . . 0.0 111.253 171.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.3 95.16 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 122.69 0.396 . . . . 0.0 110.64 177.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.9 mt -68.71 -40.38 80.01 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -58.65 -42.96 89.56 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.094 -0.379 . . . . 0.0 110.048 171.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.178 0 CA-C-O 116.839 -2.089 . . . . 0.0 112.717 175.778 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 43.4 mtt . . . . . 0 N--CA 1.474 0.74 0 CA-C-O 120.917 0.389 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.57 -53.86 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.918 1.687 . . . . 0.0 108.134 173.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -46.53 -51.97 33.04 Favored Pre-proline 0 N--CA 1.448 -0.55 0 C-N-CA 125.666 1.587 . . . . 0.0 114.872 -173.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -52.5 -52.58 8.56 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.711 2.274 . . . . 0.0 114.266 -169.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 59.6 tp -72.46 -45.63 58.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 121.535 -0.728 . . . . 0.0 109.794 177.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -52.37 -45.74 65.91 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.687 0.395 . . . . 0.0 111.049 -176.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -66.83 -36.01 81.36 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.147 0.43 . . . . 0.0 111.063 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.2 -53.87 32.06 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 121.676 -0.64 . . . . 0.0 111.013 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 35.5 pt -58.24 -41.9 82.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 174.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.18 -41.38 11.34 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.658 1.599 . . . . 0.0 112.694 169.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.41 -59.63 4.96 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.417 1.108 . . . . 0.0 109.716 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -52.63 -47.52 66.98 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.486 0.714 . . . . 0.0 109.984 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.2 mt -59.74 -50.23 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 124.049 0.94 . . . . 0.0 109.865 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.67 -54.72 35.52 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 125.008 1.29 . . . . 0.0 110.048 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mt -48.17 -53.28 6.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 176.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -57.83 -56.48 21.43 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.335 -178.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -73.45 -28.06 61.75 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 121.911 -0.493 . . . . 0.0 112.164 -170.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -59.79 -51.91 67.71 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 170.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -56.76 -57.03 14.22 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.49 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.9 t -46.18 -51.42 14.19 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.02 0.928 . . . . 0.0 111.334 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.6 -37.29 50.02 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.725 1.155 . . . . 0.0 112.586 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -51.56 -32.93 30.19 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.052 0.926 . . . . 0.0 111.907 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -122.87 28.48 7.23 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.449 0.7 . . . . 0.0 111.133 175.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 51.07 33.67 30.14 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.401 1.0 . . . . 0.0 113.674 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -85.18 171.18 12.18 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 175.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -115.24 -123.01 0.29 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.939 1.296 . . . . 0.0 109.599 -172.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -78.21 36.55 0.24 Allowed 'General case' 0 CA--C 1.539 0.548 0 O-C-N 120.959 -1.088 . . . . 0.0 111.547 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -151.3 150.78 30.93 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.995 1.718 . . . . 0.0 107.675 -169.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 96.6 mt -125.65 155.7 40.42 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 168.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.9 p -87.73 157.82 18.96 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 168.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -64.56 -43.54 93.6 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 120.896 -1.128 . . . . 0.0 113.249 -170.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -71.14 -35.53 71.75 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.078 -1.014 . . . . 0.0 110.595 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -56.81 -48.65 77.48 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 171.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.544 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.3 tm? -53.72 -49.0 69.05 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.009 0.524 . . . . 0.0 109.773 172.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -49.3 -48.56 46.1 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.251 -0.906 . . . . 0.0 109.79 176.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.26 -46.95 88.04 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.972 0.909 . . . . 0.0 111.941 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -47.6 -53.2 15.34 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.293 1.037 . . . . 0.0 109.017 174.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 73.1 mt -59.86 -44.8 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.952 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.27 -43.0 96.56 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 119.376 0.989 . . . . 0.0 110.691 -175.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -70.6 -56.65 6.0 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.709 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -74.91 -47.67 28.64 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.218 -0.302 . . . . 0.0 111.493 -169.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 74.9 mt -112.62 63.96 0.63 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.626 1.57 . . . . 0.0 109.612 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.2 m -62.73 -20.09 64.58 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.709 0.804 . . . . 0.0 113.087 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.507 HD11 HD11 ' B' ' 53' ' ' ILE . 42.6 pt 45.45 -133.71 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 126.056 1.742 . . . . 0.0 112.615 173.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.51 63.77 3.92 Favored Glycine 0 C--N 1.339 0.725 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 -176.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 23.5 m 43.77 39.89 2.78 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.382 1.073 . . . . 0.0 111.355 -171.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? 59.17 20.27 8.28 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.168 1.387 . . . . 0.0 113.926 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.87 -30.06 71.23 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 119.232 0.924 . . . . 0.0 110.926 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -74.62 36.94 0.11 Allowed 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.638 -0.664 . . . . 0.0 112.219 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -55.67 -46.48 77.56 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 124.285 1.034 . . . . 0.0 111.367 -170.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.06 -45.89 64.91 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.907 0.883 . . . . 0.0 110.741 175.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -66.34 -43.64 85.54 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.507 HD11 HD11 ' B' ' 44' ' ' ILE . 30.5 mm -53.63 -52.95 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-O 118.664 -0.684 . . . . 0.0 109.939 173.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.291 15.5 m -67.08 -34.64 71.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 119.561 1.073 . . . . 0.0 112.183 -174.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -56.95 -53.34 59.17 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.876 0.762 . . . . 0.0 110.057 169.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tt -56.47 -42.11 77.68 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.525 0.73 . . . . 0.0 111.397 178.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -62.5 -42.45 99.51 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.377 1.071 . . . . 0.0 109.734 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -57.49 -49.48 76.16 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.022 0.374 . . . . 0.0 110.049 172.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -54.28 -50.31 67.55 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 117.757 0.253 . . . . 0.0 111.205 177.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.3 mt -55.21 -55.54 30.09 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.221 0.608 . . . . 0.0 110.698 175.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -71.16 -21.11 62.22 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -172.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -45.45 -33.9 2.88 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.053 0.941 . . . . 0.0 110.912 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -35.61 -54.34 0.7 Allowed 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.671 1.588 . . . . 0.0 113.332 168.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -156.74 48.66 0.46 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.927 0.891 . . . . 0.0 109.88 -172.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 p30 51.63 -71.56 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 128.27 2.628 . . . . 0.0 115.097 173.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -85.19 -37.64 19.91 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.636 1.574 . . . . 0.0 110.129 176.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -103.26 150.54 23.63 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -169.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.3 t -116.66 111.08 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 126.916 2.087 . . . . 0.0 105.605 169.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -79.36 146.92 32.62 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 121.72 -0.613 . . . . 0.0 109.649 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -45.16 -51.09 10.86 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.372 1.069 . . . . 0.0 113.198 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -57.38 -47.25 82.16 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.669 -0.644 . . . . 0.0 110.034 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -69.14 -34.93 75.78 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 119.442 -0.313 . . . . 0.0 110.662 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -54.94 -53.87 50.02 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.365 0.53 . . . . 0.0 110.051 169.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.0 mm -58.37 -50.69 77.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 118.672 0.669 . . . . 0.0 110.227 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 35.5 m -52.83 -45.75 67.45 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.495 0.718 . . . . 0.0 110.779 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -66.34 -43.76 85.18 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 123.552 0.741 . . . . 0.0 110.206 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 80.9 mt -56.69 -35.32 68.34 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.179 0.9 . . . . 0.0 110.058 172.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.57 -50.14 64.95 Favored Glycine 0 CA--C 1.532 1.139 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 168.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.93 -45.93 78.62 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.58 -0.953 . . . . 0.0 111.182 174.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.1 tp -58.08 -46.32 85.66 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.182 0.993 . . . . 0.0 109.723 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.88 -42.97 85.7 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.722 0.809 . . . . 0.0 110.746 174.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 36.0 ttm -60.51 -44.74 95.7 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.996 -0.44 . . . . 0.0 111.227 174.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.99 -41.56 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.285 0.634 . . . . 0.0 109.35 174.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -73.15 58.81 0.52 Allowed 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.858 -0.527 . . . . 0.0 110.556 169.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -51.09 -40.47 58.46 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.569 1.148 . . . . 0.0 111.581 -175.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -57.64 -35.78 70.97 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.93 0.492 . . . . 0.0 111.482 178.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.84 -47.11 84.8 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 10.6 mt -60.89 -40.66 93.9 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 121.134 -0.227 . . . . 0.0 110.883 176.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -56.14 -46.8 79.11 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.465 0.706 . . . . 0.0 109.893 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.175 0 CA-C-O 117.242 -1.866 . . . . 0.0 111.632 174.602 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.2 mtp . . . . . 0 N--CA 1.473 0.721 0 CA-C-O 119.576 -0.25 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -39.04 -72.33 0.06 Allowed 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 125.527 1.531 . . . . 0.0 112.469 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -54.27 50.37 Favored Pre-proline 0 CA--C 1.539 0.528 0 C-N-CA 123.67 0.788 . . . . 0.0 112.032 -178.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -44.62 -44.13 14.01 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.599 2.866 . . . . 0.0 114.708 171.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.4 tp -72.46 -49.59 32.23 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 119.664 1.12 . . . . 0.0 110.441 176.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -50.74 -47.85 59.27 Favored 'General case' 0 N--CA 1.458 -0.075 0 C-N-CA 124.394 1.078 . . . . 0.0 110.259 -175.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -61.15 -37.16 81.84 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.365 -0.209 . . . . 0.0 111.424 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.56 -54.0 19.43 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.717 -0.614 . . . . 0.0 110.767 -178.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.8 pt -57.34 -43.43 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 174.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.74 -44.02 23.24 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 125.377 1.465 . . . . 0.0 112.33 171.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -60.65 3.49 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.235 1.014 . . . . 0.0 109.666 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -51.31 -47.45 62.61 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.387 0.675 . . . . 0.0 110.326 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.459 HD11 ' HB1' ' B' ' 81' ' ' ALA . 58.5 mt -61.81 -51.05 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.055 0.542 . . . . 0.0 109.911 -177.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.31 -54.1 38.22 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -50.97 -55.76 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -53.28 -60.67 3.0 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.123 0.487 . . . . 0.0 111.193 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -71.34 -22.46 61.91 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.758 -168.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -61.52 -55.66 28.57 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 119.302 0.956 . . . . 0.0 109.091 168.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -63.26 -36.83 84.95 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 118.948 -0.548 . . . . 0.0 111.365 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.5 m -58.37 -59.15 5.79 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 119.23 0.923 . . . . 0.0 109.066 169.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -40.62 -43.62 3.04 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 125.739 1.638 . . . . 0.0 112.79 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -47.27 -43.31 22.07 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.857 0.863 . . . . 0.0 113.084 176.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -90.96 -44.61 9.24 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.576 0.75 . . . . 0.0 110.706 173.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.99 142.64 4.98 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 125.783 1.659 . . . . 0.0 109.044 173.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -74.06 72.17 1.65 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.027 0.913 . . . . 0.0 110.737 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -121.98 155.67 35.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 126.937 2.095 . . . . 0.0 106.947 169.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -78.44 48.04 0.75 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.62 0.645 . . . . 0.0 111.884 -172.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.9 p -149.31 138.96 21.74 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.005 1.322 . . . . 0.0 109.279 -172.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.2 mt -109.61 133.7 52.81 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 168.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.2 t -77.37 147.11 36.27 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 169.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -45.44 -45.48 12.92 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.29 1.436 . . . . 0.0 112.462 -171.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.66 -35.05 70.23 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.697 -0.627 . . . . 0.0 111.381 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.44 -41.97 92.89 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.557 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.6 tm? -56.05 -49.29 74.17 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 169.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -56.16 -40.35 73.73 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 120.879 -1.138 . . . . 0.0 110.744 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -59.58 -50.34 74.28 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.09 0.556 . . . . 0.0 110.516 175.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -46.87 -53.62 11.73 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.234 1.014 . . . . 0.0 109.635 173.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.2 mt -62.12 -52.02 65.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 O-C-N 121.788 -0.57 . . . . 0.0 110.796 -177.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -58.28 -39.78 80.16 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.892 -0.505 . . . . 0.0 111.546 -178.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -80.5 -46.3 16.07 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.716 0.689 . . . . 0.0 111.873 -176.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -82.05 -46.51 13.81 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.763 0.825 . . . . 0.0 112.595 -174.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.6 mp -90.07 -50.97 5.7 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -176.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.4 m 65.21 71.49 0.44 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.825 0.85 . . . . 0.0 112.59 170.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.24 99.12 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 O-C-N 121.891 -0.505 . . . . 0.0 109.784 169.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.91 57.91 2.65 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 121.329 -0.857 . . . . 0.0 112.16 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 m -174.65 85.12 0.04 OUTLIER 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 127.276 2.231 . . . . 0.0 106.802 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -56.43 -19.35 14.69 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -171.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.5 mt -48.9 -36.7 17.79 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.476 -0.765 . . . . 0.0 111.331 169.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -62.73 -15.59 53.78 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -49.08 -38.32 24.07 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 119.628 1.104 . . . . 0.0 112.432 -176.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.96 -48.39 70.35 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.469 0.652 . . . . 0.0 111.023 173.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -65.12 -40.41 94.44 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.0 mm -56.85 -49.66 78.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.337 0 CA-C-O 119.022 -0.513 . . . . 0.0 110.042 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.263 17.9 m -68.37 -32.44 55.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 119.108 0.867 . . . . 0.0 112.192 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -58.72 -51.48 69.8 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.206 0.912 . . . . 0.0 109.614 169.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -57.38 -42.4 82.06 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.811 0.844 . . . . 0.0 111.306 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.6 ttp -58.96 -50.5 73.81 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 124.823 1.249 . . . . 0.0 108.962 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -53.71 -50.49 65.8 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -54.91 -51.71 65.18 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.229 0.468 . . . . 0.0 110.946 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.1 mt -51.65 -61.05 2.49 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.622 0.769 . . . . 0.0 110.376 175.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.48 -25.42 61.42 Favored 'General case' 0 CA--C 1.528 0.105 0 O-C-N 121.505 -0.747 . . . . 0.0 112.999 -171.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.6 tpt85 -65.97 -14.46 61.65 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.073 0.949 . . . . 0.0 111.201 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -31.0 64.52 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.643 -0.661 . . . . 0.0 109.317 168.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -123.65 -127.29 0.25 Allowed 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 168.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -142.77 115.72 8.8 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 104.724 -2.324 . . . . 0.0 104.724 167.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 75.09 -36.31 0.31 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.954 1.302 . . . . 0.0 114.305 168.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -106.35 109.34 21.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.396 1.078 . . . . 0.0 109.194 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.06 111.02 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -77.6 150.64 34.64 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 121.418 -0.801 . . . . 0.0 109.261 175.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -39.94 -51.22 2.51 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.167 0.987 . . . . 0.0 113.114 176.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -62.46 -42.47 99.5 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.723 -0.611 . . . . 0.0 110.363 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -62.83 -44.52 95.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.967 0.907 . . . . 0.0 109.543 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -53.89 -53.63 49.94 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.426 0.691 . . . . 0.0 110.756 173.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.28 -48.85 83.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 119.026 0.83 . . . . 0.0 110.196 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.6 m -52.14 -50.58 61.46 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.355 0.598 . . . . 0.0 110.166 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.17 -45.87 92.85 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 122.619 0.368 . . . . 0.0 110.861 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.9 mt -57.64 -36.33 71.7 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.068 0.849 . . . . 0.0 110.421 175.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.7 -49.88 63.51 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 169.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.2 -44.63 92.23 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 117.733 0.766 . . . . 0.0 111.88 175.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 tp -56.1 -49.9 72.56 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.59 1.156 . . . . 0.0 109.282 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.406 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -58.98 -43.92 91.48 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.515 0.726 . . . . 0.0 110.845 176.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 14.3 tpt -60.09 -44.6 94.69 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.403 0.281 . . . . 0.0 110.648 177.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.2 mt -58.57 -40.12 77.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 123.285 0.634 . . . . 0.0 109.32 174.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -72.51 56.36 0.37 Allowed 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.748 -0.595 . . . . 0.0 112.24 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -41.47 -44.63 2.96 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 125.427 1.491 . . . . 0.0 112.113 172.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -54.22 -45.6 72.3 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.418 0.287 . . . . 0.0 110.693 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.44 97.61 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.573 0.349 . . . . 0.0 110.134 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.9 mt -53.6 -51.21 63.75 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 117.674 0.216 . . . . 0.0 110.717 175.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -66.84 -39.71 87.71 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.119 0.168 . . . . 0.0 111.353 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.356 -1.802 . . . . 0.0 111.327 176.551 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 81.0 mtp . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 110.683 -0.118 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.62 -57.15 0.59 Allowed 'General case' 0 C--N 1.341 0.204 0 C-N-CA 128.828 2.851 . . . . 0.0 111.249 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.2 p -36.7 -54.36 1.69 Allowed Pre-proline 0 CA--C 1.542 0.646 0 C-N-CA 128.188 2.595 . . . . 0.0 114.001 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -58.11 -34.1 98.12 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 121.992 1.794 . . . . 0.0 113.403 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 58.9 tp -81.2 -46.19 15.21 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 119.12 0.873 . . . . 0.0 110.052 173.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -49.92 -47.26 52.41 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 124.156 0.982 . . . . 0.0 110.305 -176.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -58.06 -39.57 78.81 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.488 177.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.37 -53.98 16.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.908 -0.495 . . . . 0.0 110.411 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.6 pt -57.9 -43.58 84.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.39 -43.27 26.98 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 125.546 1.546 . . . . 0.0 112.268 171.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -60.05 4.49 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.079 0.952 . . . . 0.0 109.945 179.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -52.34 -45.71 65.78 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 123.407 0.683 . . . . 0.0 110.112 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.406 HD11 ' HB1' ' A' ' 81' ' ' ALA . 64.4 mt -60.1 -53.96 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 122.942 0.497 . . . . 0.0 110.102 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.63 -51.91 51.77 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 mt -49.59 -56.58 2.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -53.96 -56.93 13.25 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.276 0.56 . . . . 0.0 111.794 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -67.4 -26.09 66.27 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -169.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -59.01 -54.69 44.28 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 119.243 0.929 . . . . 0.0 109.614 169.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -68.41 -39.02 81.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 119.0 -0.524 . . . . 0.0 111.693 -175.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 83.7 p -65.89 -48.76 70.4 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 119.771 1.168 . . . . 0.0 109.214 173.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -36.16 -51.86 1.26 Allowed Glycine 0 CA--C 1.525 0.698 0 C-N-CA 126.13 1.824 . . . . 0.0 112.446 171.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.96 -41.2 15.77 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.326 0.651 . . . . 0.0 112.644 177.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -110.96 35.32 3.57 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.308 1.443 . . . . 0.0 110.917 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.56 123.75 4.23 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 124.193 0.902 . . . . 0.0 110.973 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.11 70.43 0.09 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.829 1.652 . . . . 0.0 113.005 -172.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -114.87 163.17 15.91 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 126.131 1.772 . . . . 0.0 108.789 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -82.32 40.18 0.63 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.254 0.622 . . . . 0.0 110.656 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 42.6 p -144.66 128.27 17.13 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.788 1.235 . . . . 0.0 109.628 -169.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 60.1 mt -107.56 130.14 54.91 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 169.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.1 t -78.69 178.78 7.59 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.651 0.66 . . . . 0.0 111.118 172.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -60.66 -67.48 0.39 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 125.405 1.482 . . . . 0.0 111.615 -169.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -66.54 -29.69 69.83 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.004 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -59.32 -48.41 81.74 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 173.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.529 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.6 tm? -58.25 -49.31 77.55 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -56.78 -40.26 75.55 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 119.247 -0.981 . . . . 0.0 110.811 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.57 -50.69 72.89 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.603 0.761 . . . . 0.0 110.099 175.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tt -47.2 -54.42 10.77 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.214 0.605 . . . . 0.0 109.744 172.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.4 mt -60.76 -55.55 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.664 -177.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -57.71 -39.34 76.99 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.396 0.998 . . . . 0.0 111.871 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -80.08 -41.15 26.16 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.707 -0.621 . . . . 0.0 111.551 -174.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -81.41 -56.84 3.78 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.207 0.527 . . . . 0.0 110.822 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -96.09 65.26 2.43 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 126.294 1.837 . . . . 0.0 107.685 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 5.2 m -71.91 70.09 0.73 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.753 0.821 . . . . 0.0 111.493 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 12.5 pt -57.55 133.96 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 123.652 0.781 . . . . 0.0 109.715 173.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.07 -45.47 93.78 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 6.7 m -72.63 60.39 0.48 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.345 1.458 . . . . 0.0 112.169 -178.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -61.33 -13.41 19.18 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.484 0.714 . . . . 0.0 112.596 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 82.4 mt -53.22 -24.53 11.33 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.549 0.739 . . . . 0.0 111.45 168.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -66.98 2.23 1.57 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 171.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -44.56 -42.57 7.39 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 119.983 1.265 . . . . 0.0 112.582 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.3 -48.2 68.6 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.535 0.734 . . . . 0.0 111.103 175.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -64.74 -42.91 94.85 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 36.5 mm -58.3 -45.06 89.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.876 177.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 17.5 m -68.19 -35.96 73.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 120.104 1.32 . . . . 0.0 111.876 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -58.96 -51.36 70.37 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.292 0.951 . . . . 0.0 110.24 171.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.9 -44.66 74.35 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.799 0.84 . . . . 0.0 110.787 176.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 16.3 tmm? -62.39 -42.68 99.61 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.725 0.81 . . . . 0.0 109.936 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -56.6 -50.53 71.72 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 122.813 0.445 . . . . 0.0 109.965 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -54.6 -48.69 71.85 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.738 0.415 . . . . 0.0 111.266 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mt -55.86 -60.95 2.73 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.302 0.641 . . . . 0.0 110.517 174.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -65.54 -18.79 65.59 Favored 'General case' 0 C--O 1.227 -0.113 0 CA-C-O 118.247 -0.882 . . . . 0.0 113.016 -174.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -42.28 -35.73 1.06 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.767 1.227 . . . . 0.0 111.495 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -29.84 -56.03 0.17 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.669 1.588 . . . . 0.0 112.534 167.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 tpmt? -162.88 62.16 0.19 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.62 1.168 . . . . 0.0 108.85 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 34.5 -64.38 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 130.558 3.543 . . . . 0.0 117.185 171.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -61.79 -35.13 77.28 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.457 1.503 . . . . 0.0 110.023 176.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -151.23 155.8 39.57 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -170.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 10.1 p -101.9 119.55 50.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 125.193 1.397 . . . . 0.0 108.178 168.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -79.96 146.34 32.12 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -39.61 -55.82 1.79 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.953 1.701 . . . . 0.0 113.756 -173.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -59.81 -41.14 90.6 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.587 -0.696 . . . . 0.0 110.838 -175.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -69.94 -35.82 74.81 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.329 0.652 . . . . 0.0 109.965 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -56.46 -51.94 66.55 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.282 0.492 . . . . 0.0 110.424 169.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 30.8 mm -57.14 -49.38 79.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 118.468 0.576 . . . . 0.0 109.833 177.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 33.4 m -53.7 -47.55 70.41 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.016 0.436 . . . . 0.0 110.381 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -61.18 -43.48 98.81 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 121.489 -0.757 . . . . 0.0 110.654 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 80.0 mt -58.29 -34.27 70.35 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.204 0.911 . . . . 0.0 110.623 173.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.99 -42.89 98.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 121.698 -0.626 . . . . 0.0 111.87 168.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.95 -47.41 85.03 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.081 -1.247 . . . . 0.0 110.26 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.4 tp -54.83 -48.08 73.3 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.027 1.331 . . . . 0.0 109.71 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.459 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -57.31 -48.94 77.66 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.931 0.893 . . . . 0.0 110.896 175.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 56.2 ttp -60.51 -40.88 93.01 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 122.233 -0.292 . . . . 0.0 111.134 178.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 68.0 mt -60.82 -41.54 89.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 124.085 0.954 . . . . 0.0 109.512 174.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -73.35 52.81 0.38 Allowed 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.673 0.669 . . . . 0.0 110.117 169.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -55.47 -33.43 63.65 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 124.882 1.273 . . . . 0.0 112.846 -168.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -47.9 -38.47 16.48 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.126 0.97 . . . . 0.0 111.475 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.98 -34.96 78.64 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.947 0.499 . . . . 0.0 111.67 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 29.9 mt -76.64 -50.94 12.54 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -56.42 -44.84 80.76 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.729 0.412 . . . . 0.0 111.432 -177.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.208 0 CA-C-O 117.435 -1.758 . . . . 0.0 111.234 -177.751 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.4 tpp . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 110.569 -0.16 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.66 -58.32 0.02 OUTLIER 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.638 1.575 . . . . 0.0 107.731 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.74 -52.45 8.61 Favored Pre-proline 0 N--CA 1.448 -0.526 0 C-N-CA 126.438 1.895 . . . . 0.0 113.439 -178.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -53.47 -50.45 13.82 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.839 2.359 . . . . 0.0 112.941 -175.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.7 tp -72.17 -45.23 61.28 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 119.419 -0.912 . . . . 0.0 109.671 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -52.89 -47.65 67.76 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 122.37 0.268 . . . . 0.0 111.124 -176.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -64.24 -39.52 94.12 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.073 -0.392 . . . . 0.0 110.896 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.85 -53.24 53.72 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.398 0.545 . . . . 0.0 111.509 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.6 pt -57.75 -47.32 86.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 175.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.51 -44.3 5.18 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.277 1.418 . . . . 0.0 112.81 171.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -61.05 2.7 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.421 1.089 . . . . 0.0 110.105 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mp -52.84 -47.84 67.47 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.644 0.777 . . . . 0.0 109.994 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.65 -48.09 88.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -176.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.29 -52.52 51.14 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 124.602 1.096 . . . . 0.0 110.418 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.4 mt -46.43 -54.84 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.16 0 C-N-CA 123.409 0.684 . . . . 0.0 109.397 174.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -58.25 -62.76 1.6 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -66.59 -26.33 67.05 Favored 'General case' 0 C--O 1.226 -0.135 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -169.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -59.28 -53.2 60.96 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 169.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -67.07 -41.18 86.85 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -178.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.3 m -55.83 -58.45 7.79 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 169.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -41.98 -44.73 4.73 Favored Glycine 0 CA--C 1.523 0.589 0 C-N-CA 126.368 1.937 . . . . 0.0 112.837 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -48.0 -37.11 13.96 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.776 0.83 . . . . 0.0 112.712 177.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.42 -25.08 12.95 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.482 1.113 . . . . 0.0 113.094 175.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.1 125.51 0.81 Allowed Glycine 0 CA--C 1.53 1.018 0 C-N-CA 125.62 1.581 . . . . 0.0 109.491 -175.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -75.15 68.87 1.97 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.063 0.932 . . . . 0.0 111.449 -176.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -114.73 159.36 20.63 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.61 1.564 . . . . 0.0 107.731 169.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -81.39 43.86 0.76 Allowed 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.713 -0.617 . . . . 0.0 111.796 -172.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.4 p -138.94 161.62 36.88 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.986 1.714 . . . . 0.0 107.902 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 tt -148.14 125.85 11.84 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -176.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.34 174.66 11.35 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -168.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -60.36 -66.96 0.44 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 122.423 1.106 . . . . 0.0 112.029 -171.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -71.63 -27.94 63.44 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.583 -0.698 . . . . 0.0 109.737 -176.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -58.28 -45.7 87.41 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 171.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.503 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.5 tm? -60.97 -48.27 82.59 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 174.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -55.61 -43.95 76.58 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 118.795 -1.162 . . . . 0.0 110.831 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -57.4 -48.09 79.99 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.073 0.949 . . . . 0.0 110.44 176.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 tt -47.87 -53.93 14.15 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 123.506 0.722 . . . . 0.0 109.717 172.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.9 mt -60.55 -50.21 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 O-C-N 121.42 -0.8 . . . . 0.0 111.122 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -61.08 -31.92 71.58 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.276 -0.89 . . . . 0.0 111.419 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.91 -54.69 8.04 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.609 0.641 . . . . 0.0 112.032 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -80.63 -47.12 14.56 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.569 0.747 . . . . 0.0 112.431 -172.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -85.7 -50.12 7.43 Favored 'General case' 0 N--CA 1.461 0.085 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -176.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 m 58.55 65.79 1.19 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.868 0.842 . . . . 0.0 111.034 176.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 pt -66.16 83.52 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 123.169 0.588 . . . . 0.0 111.393 178.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -43.69 -40.94 5.4 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.336 0.969 . . . . 0.0 111.297 169.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 m -69.29 66.55 0.18 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.427 1.091 . . . . 0.0 110.485 169.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -57.16 -20.06 24.13 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.636 1.174 . . . . 0.0 113.312 -171.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.8 mt -48.85 -33.66 11.03 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.244 0.617 . . . . 0.0 111.754 170.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -64.81 -7.06 9.61 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -43.51 -46.29 6.87 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.32 1.048 . . . . 0.0 112.174 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.08 -45.87 68.36 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.017 0.527 . . . . 0.0 111.159 176.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -63.23 -46.3 87.6 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.9 mm -55.78 -46.7 79.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.886 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.27 13.9 m -68.1 -37.44 78.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 119.954 1.252 . . . . 0.0 112.102 -176.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -60.81 -50.49 73.25 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.952 0.797 . . . . 0.0 110.084 171.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -53.7 -44.45 69.8 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.523 -0.736 . . . . 0.0 111.242 176.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -63.28 -46.43 86.85 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 125.129 1.372 . . . . 0.0 109.733 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -53.01 -51.46 61.6 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 170.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -62.76 -32.24 73.34 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.653 -0.655 . . . . 0.0 112.305 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mt -66.52 -65.04 0.73 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 170.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -61.66 -30.95 71.05 Favored 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -170.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.5 ttp85 -29.93 -52.99 0.15 Allowed 'General case' 0 C--N 1.342 0.251 0 C-N-CA 127.302 2.241 . . . . 0.0 110.56 174.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -27.3 -56.88 0.1 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 127.1 2.16 . . . . 0.0 114.326 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -137.04 54.83 1.85 Allowed 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 170.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 p30 39.14 -82.44 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.359 2.264 . . . . 0.0 114.562 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -52.99 -38.73 62.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.258 1.023 . . . . 0.0 112.251 176.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -140.62 152.89 45.78 Favored 'General case' 0 C--N 1.34 0.191 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -173.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.5 p -89.9 132.94 33.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 167.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.2 153.46 24.73 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 118.447 0.567 . . . . 0.0 110.003 173.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -44.78 -52.18 8.69 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.294 1.038 . . . . 0.0 113.687 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -55.58 -48.45 74.81 Favored 'General case' 0 C--O 1.232 0.183 0 O-C-N 121.731 -0.606 . . . . 0.0 110.059 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -73.07 -30.29 63.58 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.414 -173.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -55.86 -53.96 50.46 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 168.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 20.5 mm -58.45 -49.67 81.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 118.226 0.467 . . . . 0.0 109.983 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.2 m -52.02 -50.34 61.58 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.521 0.728 . . . . 0.0 110.238 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -62.71 -44.76 95.4 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.202 1.001 . . . . 0.0 110.388 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.7 mt -57.65 -36.4 71.83 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 118.941 0.791 . . . . 0.0 110.425 173.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.65 -50.91 58.27 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 169.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.73 -46.69 77.72 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 117.703 0.752 . . . . 0.0 111.413 176.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.4 tp -57.12 -49.17 76.73 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.216 1.006 . . . . 0.0 109.846 177.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.05 -37.0 81.07 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.197 0.999 . . . . 0.0 110.514 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.554 ' HA ' HD11 ' A' ' 88' ' ' LEU . 32.8 ttp -70.12 -41.28 74.16 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.473 0.709 . . . . 0.0 111.177 176.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.9 mt -58.08 -37.7 63.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 173.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -72.19 60.13 0.41 Allowed 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.345 0.593 . . . . 0.0 111.663 169.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -48.36 -39.2 21.37 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.763 1.225 . . . . 0.0 111.536 171.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -50.0 -50.73 46.16 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.585 0.354 . . . . 0.0 110.271 173.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.92 -47.46 83.15 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.554 HD11 ' HA ' ' A' ' 82' ' ' MET . 41.5 mt -50.43 -51.46 46.49 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 117.676 0.217 . . . . 0.0 111.266 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -68.55 -38.43 80.77 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.157 -0.339 . . . . 0.0 111.644 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 CA-C-O 117.414 -1.77 . . . . 0.0 111.416 177.129 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.4 ttm . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 118.858 -0.591 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 72.86 -42.13 0.52 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.692 1.997 . . . . 0.0 114.237 170.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -39.05 -49.3 4.22 Favored Pre-proline 0 CA--C 1.537 0.471 0 C-N-CA 127.953 2.501 . . . . 0.0 113.927 -174.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -56.58 -42.05 69.46 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.778 2.319 . . . . 0.0 113.39 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.6 tp -80.48 -44.46 19.14 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -49.11 -46.49 44.97 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 123.705 0.802 . . . . 0.0 110.688 -177.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -63.44 -34.26 77.37 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.816 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.78 -50.14 21.99 Favored 'General case' 0 CA--C 1.53 0.173 0 O-C-N 121.581 -0.699 . . . . 0.0 111.265 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 44.1 pt -59.22 -40.2 80.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 119.485 -0.886 . . . . 0.0 109.201 172.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.2 -42.16 48.47 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.207 1.385 . . . . 0.0 112.206 170.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.03 -60.9 2.82 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 118.34 1.07 . . . . 0.0 109.678 178.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 12.2 mt -46.05 -50.71 14.83 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.186 0.994 . . . . 0.0 110.665 175.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mm -56.69 -55.78 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.104 0.961 . . . . 0.0 109.887 178.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.51 -50.25 61.12 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 124.693 1.14 . . . . 0.0 110.351 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.6 mt -55.06 -58.32 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -52.23 -58.13 7.57 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.578 0.228 . . . . 0.0 110.887 -175.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -66.98 -27.03 67.11 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 118.193 -0.908 . . . . 0.0 112.842 -174.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -55.62 -51.2 68.0 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.798 1.181 . . . . 0.0 108.597 169.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -67.95 -42.88 80.26 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.905 -0.569 . . . . 0.0 111.554 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.0 m -54.54 -51.54 64.87 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 119.167 0.894 . . . . 0.0 110.487 173.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.51 -38.73 5.47 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.45 1.024 . . . . 0.0 113.098 -176.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -61.04 -38.43 86.13 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.45 0.7 . . . . 0.0 112.507 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -93.37 -44.09 8.45 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.183 0.993 . . . . 0.0 110.815 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.75 137.09 2.21 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 107.736 -2.146 . . . . 0.0 107.736 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.8 65.33 1.91 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.17 0.985 . . . . 0.0 111.398 -174.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -120.79 165.36 15.25 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.875 1.67 . . . . 0.0 107.786 175.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -81.72 45.87 0.93 Allowed 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.862 -0.524 . . . . 0.0 111.037 -173.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 18.5 p -139.46 152.52 47.08 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.993 1.717 . . . . 0.0 109.255 -171.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.18 129.39 39.71 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 125.332 1.453 . . . . 0.0 108.606 172.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 7.7 m -78.53 151.42 32.51 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 119.171 0.896 . . . . 0.0 109.636 174.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 pptp? -49.23 -46.64 46.18 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.896 1.278 . . . . 0.0 113.981 -168.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -26.62 51.72 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.627 -0.671 . . . . 0.0 110.65 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.18 -41.81 89.74 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 172.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.532 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.6 tm? -56.67 -49.12 75.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 169.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -54.96 -42.98 73.04 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 119.058 -1.057 . . . . 0.0 110.823 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -56.77 -49.71 74.46 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.036 0.534 . . . . 0.0 110.85 174.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 tt -49.16 -52.54 25.85 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 124.18 0.992 . . . . 0.0 109.876 175.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 65.7 mt -60.58 -55.11 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -51.62 -41.44 61.27 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 117.971 0.35 . . . . 0.0 111.705 -175.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -80.85 -53.58 6.35 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.259 0.481 . . . . 0.0 112.255 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -81.26 -28.37 34.78 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -168.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -127.45 67.32 1.3 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.581 1.952 . . . . 0.0 107.764 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 29.9 p -48.0 99.88 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.1 1.36 . . . . 0.0 112.172 -175.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 tp -76.36 68.79 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 123.737 0.815 . . . . 0.0 110.339 -175.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.84 -41.87 36.76 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.441 1.02 . . . . 0.0 111.142 177.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 6.7 m -69.17 63.87 0.14 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.776 1.23 . . . . 0.0 111.02 172.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -56.43 -26.38 53.39 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.497 1.119 . . . . 0.0 112.929 -170.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -50.8 -37.53 43.07 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.324 0.65 . . . . 0.0 110.932 172.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -73.1 0.93 10.14 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.86 0.864 . . . . 0.0 112.586 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -55.19 -33.33 62.91 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 120.049 1.295 . . . . 0.0 111.577 178.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.79 -48.89 69.36 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.333 0.587 . . . . 0.0 110.946 170.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.87 -41.44 99.39 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 37.4 mm -55.11 -47.76 76.87 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.247 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.984 174.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.286 12.1 m -67.24 -37.03 78.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 120.049 1.295 . . . . 0.0 112.526 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -58.12 -51.44 69.71 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.065 0.848 . . . . 0.0 110.297 171.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.7 -44.91 73.83 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.996 1.318 . . . . 0.0 110.908 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.3 tmm? -60.24 -45.81 91.97 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.469 1.108 . . . . 0.0 109.655 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -55.76 -49.84 72.03 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.008 0.367 . . . . 0.0 110.204 173.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -57.74 -45.44 85.84 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.728 0.411 . . . . 0.0 111.351 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 mt -57.6 -58.67 7.28 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.372 0.669 . . . . 0.0 110.052 173.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.97 -17.48 60.53 Favored 'General case' 0 N--CA 1.462 0.148 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -169.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -39.13 23.43 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.995 0.918 . . . . 0.0 109.779 173.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -31.27 -62.05 0.19 Allowed 'General case' 0 C--N 1.344 0.332 0 C-N-CA 125.954 1.701 . . . . 0.0 112.868 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -129.09 61.39 1.53 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 172.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 26.53 73.91 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 127.005 2.122 . . . . 0.0 113.898 170.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 102.72 -12.63 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 128.312 2.645 . . . . 0.0 112.365 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -114.42 134.76 54.76 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.065 0.946 . . . . 0.0 110.295 170.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 t -99.05 115.55 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 127.231 2.212 . . . . 0.0 106.557 171.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -79.87 146.11 32.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 119.229 0.922 . . . . 0.0 109.326 170.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -39.85 -51.37 2.43 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.665 1.186 . . . . 0.0 113.521 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -55.48 -44.12 76.18 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.638 -0.664 . . . . 0.0 111.042 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -76.65 -32.46 58.0 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.802 0.441 . . . . 0.0 111.012 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -54.34 -52.67 60.83 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 168.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.1 mm -58.57 -52.86 54.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 O-C-N 122.055 -0.403 . . . . 0.0 110.682 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 32.2 m -50.99 -48.99 61.15 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.326 0.584 . . . . 0.0 110.719 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -63.56 -44.48 94.0 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.303 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 78.0 mt -56.64 -36.46 69.52 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.084 0.856 . . . . 0.0 110.337 173.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.45 -51.08 58.58 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 169.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.4 -42.39 82.16 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 117.924 0.862 . . . . 0.0 111.645 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.5 tp -58.64 -48.61 80.43 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.438 1.095 . . . . 0.0 109.438 177.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.79 -44.2 81.66 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.889 0.476 . . . . 0.0 110.416 173.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 33.7 ttp -61.82 -40.34 94.94 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.855 0.462 . . . . 0.0 111.352 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 86.5 mt -59.39 -44.41 92.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 171.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -71.98 60.05 0.38 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.981 0.912 . . . . 0.0 112.335 175.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -42.26 -41.97 2.94 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 127.054 2.142 . . . . 0.0 111.62 170.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -52.88 -50.82 63.07 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.269 1.028 . . . . 0.0 110.028 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.12 -43.86 94.02 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.874 0.469 . . . . 0.0 110.005 177.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 60.5 mt -50.47 -51.77 44.14 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 117.911 0.323 . . . . 0.0 110.683 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.93 -45.39 74.44 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 110.544 -0.169 . . . . 0.0 110.544 178.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.067 -1.963 . . . . 0.0 110.922 176.042 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.3 mtp . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.11 -60.42 0.37 Allowed 'General case' 0 C--N 1.341 0.199 0 C-N-CA 129.397 3.079 . . . . 0.0 111.499 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -38.58 -48.46 3.56 Favored Pre-proline 0 N--CA 1.449 -0.5 0 C-N-CA 128.251 2.621 . . . . 0.0 112.797 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -59.66 -34.72 96.29 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 121.908 1.739 . . . . 0.0 113.814 -177.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.9 tp -81.91 -46.19 14.4 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 171.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -50.34 -45.62 55.13 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 123.427 0.691 . . . . 0.0 110.885 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -55.84 -42.65 76.1 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 120.605 0.24 . . . . 0.0 111.254 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.49 -52.0 25.05 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.986 -0.446 . . . . 0.0 110.233 -173.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.0 pt -57.54 -43.24 82.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 119.715 -0.794 . . . . 0.0 109.074 173.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.52 -45.1 17.07 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 125.177 1.37 . . . . 0.0 112.052 171.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.48 -60.64 3.35 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.882 0.873 . . . . 0.0 110.592 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mp -51.47 -49.61 61.45 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.667 0.787 . . . . 0.0 109.599 177.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.1 mt -57.94 -50.7 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.571 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.36 -55.19 31.76 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.0 mt -46.94 -52.77 3.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.342 0.657 . . . . 0.0 109.288 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -60.89 -55.84 28.18 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.383 0.611 . . . . 0.0 111.919 -177.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -68.44 -29.57 68.26 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.927 -0.559 . . . . 0.0 111.513 -170.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -57.66 -53.98 52.01 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.839 0.745 . . . . 0.0 109.965 170.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -65.4 -36.89 85.31 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 122.092 -0.38 . . . . 0.0 111.89 -177.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.9 m -59.06 -52.94 63.59 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.156 0.503 . . . . 0.0 109.77 172.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.32 -39.42 72.18 Favored Glycine 0 CA--C 1.523 0.577 0 C-N-CA 124.849 1.214 . . . . 0.0 111.428 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -49.67 -34.88 19.73 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.548 0.739 . . . . 0.0 112.076 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -114.39 29.12 8.24 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.654 0.781 . . . . 0.0 111.299 176.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.49 32.02 60.62 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.172 0.891 . . . . 0.0 113.676 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -111.41 162.57 14.92 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 171.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -109.78 -80.95 0.58 Allowed 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 123.546 0.738 . . . . 0.0 110.616 -176.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -102.47 26.62 7.65 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.544 0.738 . . . . 0.0 110.999 -169.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.3 m -155.34 150.3 26.67 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -149.69 155.93 41.03 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.816 0.735 . . . . 0.0 110.932 173.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.2 t -78.05 154.68 31.18 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 124.171 0.988 . . . . 0.0 111.695 -168.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -49.8 -49.29 49.19 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.929 0.892 . . . . 0.0 113.065 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -70.44 -32.52 70.13 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.029 -1.044 . . . . 0.0 110.54 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.65 -40.52 97.05 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 174.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.489 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.4 tm? -58.14 -48.98 78.56 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.326 0.65 . . . . 0.0 109.545 171.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -52.36 -48.63 65.43 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.107 173.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -58.21 -35.63 71.95 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.071 0.548 . . . . 0.0 112.048 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.84 -58.97 6.24 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.029 0.932 . . . . 0.0 109.407 170.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.8 mt -54.68 -52.21 43.71 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-O 119.111 -0.471 . . . . 0.0 110.611 -176.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -58.87 -31.01 68.17 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 119.05 0.841 . . . . 0.0 112.073 -175.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -80.45 -43.36 21.05 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 119.16 0.891 . . . . 0.0 112.033 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -75.39 -67.0 0.7 Allowed 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 122.373 1.083 . . . . 0.0 109.138 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -84.76 76.61 10.2 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 124.866 1.266 . . . . 0.0 107.625 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.1 p -67.69 75.08 0.18 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.293 1.037 . . . . 0.0 111.3 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.0 pt -64.82 108.27 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 123.307 0.643 . . . . 0.0 110.324 175.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -43.45 125.74 5.17 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.495 1.045 . . . . 0.0 111.311 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.2 m 48.87 30.09 2.57 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.119 1.368 . . . . 0.0 113.358 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp 55.2 28.97 11.89 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.165 0.986 . . . . 0.0 112.61 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.2 132.44 53.94 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 174.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 72.74 22.58 3.13 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.311 1.845 . . . . 0.0 112.995 -174.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -48.03 -41.01 24.59 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 121.265 -0.897 . . . . 0.0 112.352 171.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.01 -47.6 61.6 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.173 0.589 . . . . 0.0 111.092 174.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -65.59 -41.17 93.15 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.5 mm -55.1 -46.5 77.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.043 174.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.263 13.6 m -71.38 -32.7 47.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 120.474 1.488 . . . . 0.0 112.86 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -59.27 -51.26 70.74 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.513 1.051 . . . . 0.0 109.714 169.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.12 -42.46 80.92 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.146 0.978 . . . . 0.0 110.952 176.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 62.0 ttp -58.26 -49.89 75.51 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.517 1.127 . . . . 0.0 108.755 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -53.1 -50.13 65.06 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 175.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -58.93 -42.06 88.85 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.913 -0.492 . . . . 0.0 112.032 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 mt -64.45 -52.77 56.33 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.413 0.685 . . . . 0.0 111.161 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -71.91 -30.67 65.6 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.073 0.549 . . . . 0.0 112.223 -173.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -49.18 -42.02 38.59 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 123.776 0.83 . . . . 0.0 110.673 -173.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -53.08 -27.24 19.28 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.542 1.137 . . . . 0.0 112.582 -177.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -141.85 51.28 1.53 Allowed 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 167.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 p30 42.88 -89.93 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.07 2.148 . . . . 0.0 114.847 176.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -70.32 -25.56 63.37 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.375 1.47 . . . . 0.0 111.699 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -136.51 156.32 48.75 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.636 0.774 . . . . 0.0 110.726 -168.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.5 p -100.34 126.02 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 170.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -82.19 147.03 29.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 173.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -43.02 -51.78 5.55 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.693 1.197 . . . . 0.0 113.455 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -58.91 -40.11 83.53 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.506 -0.747 . . . . 0.0 110.46 -178.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -73.92 -37.08 64.72 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 123.736 0.815 . . . . 0.0 109.595 -176.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -55.13 -54.63 40.81 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.36 0.664 . . . . 0.0 109.919 169.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.8 mm -55.8 -54.76 22.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.9 m -49.64 -49.9 45.25 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 123.472 0.709 . . . . 0.0 111.047 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -64.85 -42.44 94.9 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 118.983 -0.532 . . . . 0.0 110.73 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.4 mt -57.3 -36.7 71.41 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.757 1.162 . . . . 0.0 110.074 172.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.09 -50.38 64.78 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 169.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.67 -47.71 73.27 Favored 'General case' 0 C--O 1.224 -0.256 0 O-C-N 121.97 -0.723 . . . . 0.0 110.897 175.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.4 tp -57.47 -47.62 81.39 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.941 1.297 . . . . 0.0 109.773 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.517 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -57.96 -44.48 87.07 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.668 0.787 . . . . 0.0 110.701 177.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.1 ttp -61.6 -47.66 84.47 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.9 mt -60.58 -33.82 56.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 125.04 1.336 . . . . 0.0 111.026 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -50.88 -36.91 40.49 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.017 0.826 . . . . 0.0 110.752 171.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 65.76 -67.25 0.14 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 127.655 2.382 . . . . 0.0 111.264 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -54.72 -35.08 63.29 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.079 1.352 . . . . 0.0 110.932 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.67 -35.97 69.02 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.823 0.449 . . . . 0.0 112.178 175.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.92 -59.13 2.69 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -57.29 -42.16 81.2 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.739 0.815 . . . . 0.0 111.911 -168.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 116.9 -2.055 . . . . 0.0 110.57 175.173 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ptp . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 121.708 0.766 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.82 -48.98 11.68 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.773 0.829 . . . . 0.0 110.285 -175.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -44.66 -45.45 24.09 Favored Pre-proline 0 N--CA 1.45 -0.454 0 C-N-CA 126.075 1.75 . . . . 0.0 114.185 -174.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -54.22 -44.23 51.29 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.163 2.576 . . . . 0.0 112.998 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 56.0 tp -74.43 -49.56 21.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 119.422 -0.911 . . . . 0.0 109.281 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -53.9 -43.86 70.05 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 119.537 -0.268 . . . . 0.0 111.272 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -63.94 -37.89 89.06 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.45 0.568 . . . . 0.0 111.634 176.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.48 -53.89 36.12 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.791 -0.568 . . . . 0.0 110.632 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 26.8 pt -57.44 -42.15 80.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 174.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.94 -45.77 9.26 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 125.226 1.393 . . . . 0.0 112.678 169.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.89 -59.83 4.64 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.096 0.958 . . . . 0.0 109.715 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -53.18 -46.26 68.87 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.601 0.76 . . . . 0.0 110.294 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.517 HD11 ' HB1' ' A' ' 81' ' ' ALA . 57.1 mt -59.59 -52.87 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.772 0.829 . . . . 0.0 109.761 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.71 -55.37 30.35 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 mt -50.18 -48.54 24.07 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.1 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -62.83 -65.73 0.64 Allowed 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.42 0.628 . . . . 0.0 111.71 -178.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.85 -24.63 65.28 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -166.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -60.48 -46.07 91.42 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.196 0.907 . . . . 0.0 109.895 169.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -67.68 -44.63 77.35 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.942 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 35.0 m -49.36 -46.18 46.77 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 119.208 0.913 . . . . 0.0 110.347 170.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -43.7 -31.26 1.74 Allowed Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.633 1.587 . . . . 0.0 113.891 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -54.32 -40.8 68.32 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.054 0.927 . . . . 0.0 111.294 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -94.59 -40.5 9.81 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.24 1.016 . . . . 0.0 110.999 174.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.46 176.48 38.25 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 176.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -76.49 48.26 0.53 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.025 0.93 . . . . 0.0 111.146 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -95.31 135.23 37.17 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.683 1.593 . . . . 0.0 107.427 -176.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -80.58 49.26 1.15 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.736 0.779 . . . . 0.0 110.328 -179.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 4.4 t -157.77 158.07 34.58 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 127.423 2.289 . . . . 0.0 105.758 -177.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 tt -148.6 129.33 14.17 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -168.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 7.9 p -78.72 166.44 22.48 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.93 0.786 . . . . 0.0 112.702 -169.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -60.64 -57.87 10.88 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -169.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -69.51 -33.08 72.31 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.318 -0.864 . . . . 0.0 110.001 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -59.02 -45.15 91.43 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.835 0.854 . . . . 0.0 109.792 174.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.487 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.5 tm? -57.94 -49.71 75.84 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.522 0.729 . . . . 0.0 109.115 170.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -52.71 -42.94 65.31 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.281 -0.887 . . . . 0.0 110.712 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -65.55 -39.42 91.69 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.256 1.422 . . . . 0.0 111.793 177.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tt -53.6 -53.49 51.0 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 169.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 52.9 mt -58.67 -52.98 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-O 118.929 -0.557 . . . . 0.0 109.71 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -56.94 -37.99 72.29 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.867 0.758 . . . . 0.0 111.448 -174.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -75.85 -59.85 2.58 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.088 176.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -74.49 -52.06 13.02 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.007 0.432 . . . . 0.0 111.2 -168.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -93.41 68.18 4.12 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.76 79.17 0.07 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.864 0.865 . . . . 0.0 111.699 -171.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 27.7 mm -48.87 -43.87 14.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 125.962 1.705 . . . . 0.0 112.295 -170.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.44 -62.61 2.27 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 -170.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.5 m -71.01 61.19 0.27 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.61 1.564 . . . . 0.0 111.868 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -60.17 -10.93 5.03 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.963 0.905 . . . . 0.0 112.313 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.431 HD22 ' H ' ' B' ' 48' ' ' LEU . 3.2 mm? -50.23 -30.73 12.25 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.418 -0.801 . . . . 0.0 110.386 168.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -70.7 10.68 0.47 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.076 0.951 . . . . 0.0 113.475 175.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -44.32 -47.39 9.54 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 125.057 1.343 . . . . 0.0 112.196 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.38 -45.81 62.6 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.129 0.571 . . . . 0.0 111.137 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -65.11 -44.72 87.85 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 36.6 mm -55.78 -47.31 79.61 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 CA-C-O 118.734 -0.651 . . . . 0.0 110.469 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.263 17.4 m -72.74 -31.47 36.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 119.423 1.011 . . . . 0.0 112.728 -177.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -61.05 -50.76 72.02 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.732 1.151 . . . . 0.0 109.402 169.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 tt -54.18 -45.26 72.07 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.416 0.686 . . . . 0.0 111.029 175.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 60.3 ttp -57.57 -53.12 61.74 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 124.6 1.16 . . . . 0.0 108.848 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.02 -51.96 37.9 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 123.516 0.726 . . . . 0.0 110.117 175.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -58.31 -45.44 88.03 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 122.028 -0.42 . . . . 0.0 111.721 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.3 mt -57.96 -66.06 0.54 Allowed 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 172.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.04 -17.75 63.94 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -168.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 31.4 ttp-105 -57.58 -30.9 65.65 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.283 0.492 . . . . 0.0 110.287 173.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -52.37 -35.95 52.55 Favored 'General case' 0 C--N 1.341 0.228 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -177.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -130.68 51.01 2.16 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 168.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 40.15 20.8 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 129.472 3.109 . . . . 0.0 116.893 169.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 170.3 -37.15 0.0 OUTLIER 'General case' 0 C--O 1.234 0.27 0 C-N-CA 125.122 1.369 . . . . 0.0 109.245 -168.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -122.72 156.16 34.98 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.652 0.781 . . . . 0.0 110.362 173.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 7.8 p -98.19 126.18 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 168.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -81.39 144.23 31.58 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -46.07 -60.96 1.97 Allowed 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -169.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -52.24 -42.16 63.38 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.238 0.542 . . . . 0.0 110.577 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -70.99 -34.57 71.51 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.595 0.758 . . . . 0.0 110.522 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.12 -47.36 83.53 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 169.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.5 mm -57.88 -51.93 64.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 85.9 m -49.15 -49.02 44.3 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 121.612 -0.68 . . . . 0.0 111.468 174.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.71 -45.21 92.83 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 119.441 -0.314 . . . . 0.0 110.322 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 78.6 mt -58.59 -35.37 72.32 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.914 0.779 . . . . 0.0 110.935 173.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.44 -50.6 63.65 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 169.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.39 -41.15 79.71 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.796 -0.826 . . . . 0.0 110.777 174.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.0 tp -61.62 -44.98 95.97 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.816 0.846 . . . . 0.0 110.059 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.55 -50.75 67.16 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.584 0.753 . . . . 0.0 110.114 172.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 10.6 tpt -55.88 -45.88 78.45 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 60.6 mt -64.83 -45.36 95.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 C-N-CA 124.414 1.085 . . . . 0.0 110.403 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -53.83 -41.99 67.99 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.28 0.491 . . . . 0.0 109.85 175.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 9.7 t30 71.21 -60.47 0.51 Allowed 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 125.675 1.59 . . . . 0.0 113.295 168.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -50.1 -44.23 51.95 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.604 0.762 . . . . 0.0 109.86 176.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.23 -43.25 10.18 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.516 1.126 . . . . 0.0 112.208 173.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 26.2 mt -61.91 -40.41 95.37 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 123.617 0.767 . . . . 0.0 110.481 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -71.88 -42.88 66.28 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.415 -1.769 . . . . 0.0 110.325 174.566 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 120.437 0.161 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.18 -63.09 1.01 Allowed 'General case' 0 C--N 1.339 0.147 0 C-N-CA 124.344 1.058 . . . . 0.0 111.587 -176.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -60.14 6.58 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-O 117.504 -1.236 . . . . 0.0 111.54 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -39.62 -53.96 2.1 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 124.34 3.36 . . . . 0.0 115.206 172.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.9 tp -68.1 -50.27 55.99 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 117.956 -1.498 . . . . 0.0 110.493 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -51.48 -47.24 63.26 Favored 'General case' 0 CA--C 1.527 0.071 0 C-N-CA 123.64 0.776 . . . . 0.0 110.917 -176.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -64.89 -38.6 91.5 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 122.05 -0.406 . . . . 0.0 111.067 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.43 -54.45 36.35 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.753 -0.592 . . . . 0.0 111.234 178.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.4 pt -57.8 -42.92 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.11 -47.06 8.16 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 125.339 1.447 . . . . 0.0 112.36 169.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.59 -58.53 7.64 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.302 1.041 . . . . 0.0 109.833 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -53.77 -46.77 71.07 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 123.352 0.661 . . . . 0.0 110.189 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.424 HD11 ' HB1' ' B' ' 81' ' ' ALA . 43.6 mt -63.2 -48.82 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 122.855 0.462 . . . . 0.0 109.774 -176.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.8 -51.72 57.41 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.4 mt -51.33 -49.99 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 117.148 0.474 . . . . 0.0 109.782 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -58.04 -61.16 2.75 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.136 0.493 . . . . 0.0 110.522 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -65.91 -29.85 70.34 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -169.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -53.7 -44.18 69.57 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 171.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -78.61 -39.67 36.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 118.569 -0.729 . . . . 0.0 111.505 179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 m -52.55 -33.92 47.79 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.593 1.088 . . . . 0.0 111.577 169.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.89 -39.39 8.67 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.14 0.876 . . . . 0.0 112.43 171.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -59.65 -33.33 71.4 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.802 -0.822 . . . . 0.0 110.958 178.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -103.81 44.63 1.01 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.728 1.211 . . . . 0.0 109.487 170.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.53 -72.86 2.58 Favored Glycine 0 CA--C 1.525 0.666 0 O-C-N 121.612 -0.68 . . . . 0.0 111.606 172.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -176.18 -42.18 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.363 0.665 . . . . 0.0 112.06 -171.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -35.59 136.48 0.23 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 126.848 2.059 . . . . 0.0 112.496 -176.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -74.23 57.76 0.68 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.715 1.606 . . . . 0.0 112.796 -169.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 p -145.19 163.53 34.11 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 127.552 2.341 . . . . 0.0 106.637 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 tt -147.04 124.58 11.72 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -178.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.2 t -79.69 179.21 7.64 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -172.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -67.9 -69.98 0.29 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.318 1.047 . . . . 0.0 110.948 -169.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -62.96 -33.32 75.12 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.479 -0.763 . . . . 0.0 109.797 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -54.73 -47.73 73.42 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.796 0.839 . . . . 0.0 110.183 173.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.468 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.9 tm? -58.42 -52.97 63.39 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.15 0.58 . . . . 0.0 110.355 175.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.2 ptmm? -62.0 -31.03 71.37 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 117.214 -1.794 . . . . 0.0 111.254 -177.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.07 -51.6 68.95 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.864 0.466 . . . . 0.0 110.133 170.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -46.07 -55.31 7.11 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.662 0.785 . . . . 0.0 109.198 173.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.8 mt -59.32 -46.89 92.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 122.583 0.353 . . . . 0.0 111.397 -177.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -60.8 -40.1 91.42 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.612 -0.68 . . . . 0.0 111.53 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -69.47 -53.02 21.27 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.141 0.882 . . . . 0.0 111.685 176.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -80.62 -45.32 17.48 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -168.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.0 mt -93.85 -46.27 7.27 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.272 0.629 . . . . 0.0 110.779 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 m 63.67 65.55 0.72 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.775 0.797 . . . . 0.0 111.256 172.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.551 HD12 ' H ' ' A' ' 44' ' ' ILE . 4.5 mp -71.48 86.69 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 176.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.81 -36.53 6.63 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.718 1.151 . . . . 0.0 112.294 175.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 t -70.64 64.01 0.29 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.936 0.894 . . . . 0.0 110.333 171.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -62.74 -12.96 27.33 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.403 -0.811 . . . . 0.0 112.562 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.4 mt -50.66 -33.26 21.77 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.734 -0.604 . . . . 0.0 110.241 168.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -77.15 13.24 1.17 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.973 0.909 . . . . 0.0 112.815 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -48.18 -41.51 27.21 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 119.869 1.213 . . . . 0.0 112.015 176.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.18 -47.54 54.49 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.325 0.65 . . . . 0.0 111.221 173.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -64.94 -41.87 95.13 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.4 mm -56.22 -48.64 79.11 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-O 118.944 -0.551 . . . . 0.0 110.401 175.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.3 m -70.04 -33.0 53.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 119.588 1.086 . . . . 0.0 112.143 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -59.52 -52.18 66.69 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.014 0.824 . . . . 0.0 109.964 170.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tt -55.11 -45.5 75.49 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.034 0.934 . . . . 0.0 110.849 176.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.8 ttp -56.15 -53.01 62.26 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.674 1.19 . . . . 0.0 108.763 177.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -51.65 -50.61 60.0 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -61.5 -29.65 70.12 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -178.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mt -71.33 -59.9 2.52 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.487 0.715 . . . . 0.0 110.578 171.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -65.27 -34.09 77.52 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.523 -0.736 . . . . 0.0 112.838 -173.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.3 ttp85 -44.22 -44.73 8.07 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 125.821 1.648 . . . . 0.0 111.047 -176.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -52.95 -31.14 38.71 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.725 0.81 . . . . 0.0 112.334 -175.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -135.28 50.4 2.14 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 168.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.2 p30 45.89 -85.47 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 127.407 2.283 . . . . 0.0 114.392 176.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -76.34 -36.98 57.95 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.045 0.938 . . . . 0.0 111.452 -170.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -128.33 154.06 46.35 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 124.452 1.101 . . . . 0.0 108.949 -176.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 p -90.95 130.29 40.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 166.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -82.56 150.82 26.7 Favored 'General case' 0 N--CA 1.458 -0.052 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -39.79 -55.19 2.0 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.854 1.262 . . . . 0.0 113.771 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -61.9 -41.66 98.17 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 121.183 -0.948 . . . . 0.0 110.689 -177.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -66.69 -36.65 83.0 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 122.318 -0.239 . . . . 0.0 110.65 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.72 -50.64 72.54 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.803 0.441 . . . . 0.0 110.233 170.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.6 mm -57.09 -53.22 46.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-N 118.64 0.654 . . . . 0.0 110.124 177.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.6 m -51.13 -48.12 61.86 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.749 -0.595 . . . . 0.0 111.296 176.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -60.59 -45.42 94.03 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.236 -0.29 . . . . 0.0 110.435 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.0 mt -58.41 -35.41 72.01 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.81 0.732 . . . . 0.0 110.576 174.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.1 -51.84 54.99 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 169.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.58 -46.31 77.27 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.732 -0.863 . . . . 0.0 110.844 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.5 tp -57.89 -45.49 86.34 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.279 1.031 . . . . 0.0 110.409 178.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.9 -45.49 78.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 121.979 -0.451 . . . . 0.0 110.011 172.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.1 ttp -60.11 -39.58 86.69 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 119.165 -0.445 . . . . 0.0 111.581 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 34.6 mm -55.22 -48.83 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 119.18 0.9 . . . . 0.0 108.743 169.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -71.92 39.44 0.07 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.397 1.079 . . . . 0.0 112.721 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -35.72 -42.68 0.26 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 128.329 2.652 . . . . 0.0 113.991 177.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -49.46 -41.43 40.28 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.413 0.685 . . . . 0.0 112.107 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.24 77.34 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.455 0.702 . . . . 0.0 111.655 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.8 mp -80.98 -53.08 6.74 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.568 0.747 . . . . 0.0 109.244 -174.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -77.32 -27.09 52.76 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -175.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.344 0 CA-C-O 117.821 -1.544 . . . . 0.0 111.056 -174.168 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptm . . . . . 0 N--CA 1.475 0.793 0 CA-C-O 120.736 0.303 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.71 -64.26 0.38 Allowed 'General case' 0 C--N 1.339 0.116 0 C-N-CA 128.756 2.822 . . . . 0.0 110.195 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -38.84 -48.93 3.94 Favored Pre-proline 0 N--CA 1.447 -0.599 0 C-N-CA 128.35 2.66 . . . . 0.0 113.655 -177.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.99 -46.47 13.12 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.992 1.795 . . . . 0.0 112.76 -174.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 42.3 tp -77.82 -44.98 25.72 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -50.66 -47.65 58.57 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.891 0.876 . . . . 0.0 110.767 -177.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -62.24 -39.04 91.52 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.145 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.1 -52.21 37.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.092 -0.38 . . . . 0.0 110.98 -177.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 37.1 pt -57.55 -47.19 85.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 174.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.49 -46.37 5.64 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.931 1.253 . . . . 0.0 112.219 171.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.456 ' CD1' HD12 ' B' ' 15' ' ' ILE . 0.3 OUTLIER -54.91 -59.38 4.82 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.061 0.945 . . . . 0.0 110.541 177.723 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mp -54.23 -46.22 72.49 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.397 0.679 . . . . 0.0 110.625 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.98 -48.31 89.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -176.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.78 -56.64 24.07 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.456 HD12 ' CD1' ' B' ' 11' ' ' LEU . 5.0 mt -49.43 -44.53 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 123.686 0.795 . . . . 0.0 110.869 177.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -62.08 -62.5 1.74 Allowed 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.2 0.524 . . . . 0.0 111.064 177.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -67.29 -28.75 68.28 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 122.065 -0.397 . . . . 0.0 112.006 -169.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -49.36 -45.79 46.21 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 124.914 1.286 . . . . 0.0 109.263 168.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -76.98 -54.08 7.01 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.689 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.4 m -46.36 -48.27 18.5 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.722 1.146 . . . . 0.0 111.948 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.0 -38.32 46.88 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 124.452 1.025 . . . . 0.0 113.108 178.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -45.46 -47.25 13.94 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 124.698 1.199 . . . . 0.0 111.72 -175.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -115.01 22.79 13.08 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.294 1.038 . . . . 0.0 110.451 -177.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.0 35.41 48.62 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.709 0.671 . . . . 0.0 112.883 -178.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -75.2 156.29 35.98 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 173.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -81.72 -143.13 0.05 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.792 0.837 . . . . 0.0 109.482 -175.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -77.35 49.34 0.7 Allowed 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.755 -1.216 . . . . 0.0 110.059 173.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.74 158.04 43.82 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 127.204 2.201 . . . . 0.0 107.556 -169.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 89.2 mt -135.27 136.69 41.87 Favored 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 170.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.0 m -78.3 154.1 31.18 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 170.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -61.42 -42.15 98.3 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 120.891 -1.13 . . . . 0.0 113.622 -169.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -68.79 -39.3 80.23 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.019 -1.051 . . . . 0.0 111.093 178.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -56.39 -48.12 77.56 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.579 HD13 ' C ' ' B' ' 34' ' ' LEU . 0.7 OUTLIER -55.83 -44.41 77.91 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.773 0.829 . . . . 0.0 110.049 172.111 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 67.5 tttt -53.65 -46.96 70.74 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 120.635 -1.291 . . . . 0.0 109.876 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.82 -36.85 82.37 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.544 0.738 . . . . 0.0 111.701 177.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.8 -56.71 17.28 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 169.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 51.9 mt -57.22 -47.57 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 119.235 -0.412 . . . . 0.0 110.521 -176.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -57.56 -39.07 75.86 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.602 0.637 . . . . 0.0 111.296 -174.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -81.36 -56.2 4.21 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.203 0.525 . . . . 0.0 111.277 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -80.48 -26.0 38.49 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.469 1.508 . . . . 0.0 114.132 -167.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 59.7 mt -114.12 73.69 0.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 105.104 -2.184 . . . . 0.0 105.104 168.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.8 61.03 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.583 2.353 . . . . 0.0 113.831 -168.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.19 104.09 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 O-C-N 121.067 -1.02 . . . . 0.0 109.359 174.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.96 58.1 2.67 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.121 0.867 . . . . 0.0 111.567 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.5 m -178.09 75.25 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 128.742 2.817 . . . . 0.0 105.048 -178.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -75.24 77.91 2.36 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -176.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 47.6 tp -143.74 -31.62 0.46 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.6 -1.182 . . . . 0.0 112.757 -166.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -78.02 38.68 0.28 Allowed 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.417 -0.802 . . . . 0.0 110.353 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -55.2 -45.0 75.85 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.466 1.106 . . . . 0.0 110.762 -169.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.34 -46.54 62.69 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.034 0.933 . . . . 0.0 111.041 175.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -66.54 -43.55 84.82 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 41.4 mm -55.19 -49.07 75.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 118.654 -0.688 . . . . 0.0 110.197 174.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.276 16.7 m -70.4 -33.2 52.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 120.024 1.284 . . . . 0.0 112.945 -177.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -57.76 -50.55 72.88 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.386 0.994 . . . . 0.0 109.144 169.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tt -56.6 -42.05 78.08 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.812 -0.555 . . . . 0.0 111.277 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.445 ' HG2' HD12 ' B' ' 34' ' ' LEU . 60.9 mtp -58.94 -48.5 81.27 Favored 'General case' 0 C--O 1.221 -0.432 0 O-C-N 121.48 -0.763 . . . . 0.0 110.067 175.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -52.83 -50.57 63.45 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 175.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -57.39 -43.04 83.34 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 122.82 0.448 . . . . 0.0 112.043 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.32 -57.29 10.85 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.564 0.62 . . . . 0.0 110.749 173.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.39 -9.84 51.04 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.688 1.195 . . . . 0.0 113.038 -172.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 21.4 mmt-85 -35.63 -42.8 0.25 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.184 0.994 . . . . 0.0 110.169 166.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -32.64 -60.46 0.3 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.221 1.409 . . . . 0.0 113.861 169.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -163.99 60.67 0.16 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.52 0.728 . . . . 0.0 111.541 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 49.99 -63.7 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 129.756 3.222 . . . . 0.0 116.817 168.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -81.37 -34.39 31.74 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.787 1.235 . . . . 0.0 110.09 175.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -135.69 157.67 46.28 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -168.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 t -101.85 145.85 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 128.091 2.556 . . . . 0.0 106.848 172.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -111.35 146.35 37.26 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.812 0.845 . . . . 0.0 108.79 171.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -39.83 -57.04 1.65 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.631 1.572 . . . . 0.0 114.374 -171.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -57.78 -39.3 77.16 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.313 -0.867 . . . . 0.0 111.333 -178.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -74.7 -35.48 62.72 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.418 0.687 . . . . 0.0 109.246 -177.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -55.96 -52.9 62.54 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 169.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 25.1 mm -55.94 -52.49 48.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 89.2 m -52.96 -46.34 68.15 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.745 0.418 . . . . 0.0 111.283 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -62.96 -43.85 97.65 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 121.962 -0.461 . . . . 0.0 110.501 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 73.7 mt -57.03 -32.04 65.76 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.211 0.914 . . . . 0.0 110.362 172.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.98 -51.69 57.78 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 168.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.48 -46.9 73.49 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.202 -1.175 . . . . 0.0 111.149 174.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 6.9 tp -58.42 -43.18 88.57 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.282 -0.886 . . . . 0.0 110.235 177.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.424 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -58.55 -35.4 72.27 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 121.688 -0.632 . . . . 0.0 111.199 172.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 90.0 mtp -66.03 -41.28 91.11 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.89 0.768 . . . . 0.0 111.602 170.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 45.1 mm -55.1 -39.27 49.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 118.518 0.599 . . . . 0.0 109.734 171.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -72.4 57.96 0.39 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 122.424 1.107 . . . . 0.0 109.853 170.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -47.6 -35.8 9.79 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 127.345 2.258 . . . . 0.0 111.473 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.8 mp0 -57.84 -45.64 85.94 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.448 0.699 . . . . 0.0 109.652 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.57 -41.26 79.97 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 122.976 0.511 . . . . 0.0 109.989 177.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 37.1 mt -53.09 -47.53 68.49 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.749 0.704 . . . . 0.0 110.996 173.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -64.12 -45.4 88.73 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.844 -1.531 . . . . 0.0 111.64 175.961 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.8 mtm . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 120.789 0.328 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.11 -62.33 0.36 Allowed 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 130.469 3.507 . . . . 0.0 110.685 176.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.03 -50.18 4.19 Favored Pre-proline 0 N--CA 1.45 -0.434 0 C-N-CA 127.63 2.372 . . . . 0.0 112.922 -177.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -60.57 -33.92 93.07 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.223 1.948 . . . . 0.0 113.6 -176.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.0 tp -81.8 -45.86 14.99 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 172.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -50.11 -46.92 54.12 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 124.091 0.956 . . . . 0.0 110.778 -175.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -55.02 -42.43 72.58 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.614 0.245 . . . . 0.0 111.441 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.43 -52.78 19.8 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.929 -0.482 . . . . 0.0 110.332 -173.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.8 pt -57.35 -42.31 80.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.86 -46.95 19.46 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 125.329 1.442 . . . . 0.0 112.162 171.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.67 -60.2 3.78 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.878 0.871 . . . . 0.0 110.259 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mp -53.26 -45.2 68.71 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.644 0.777 . . . . 0.0 110.299 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.536 HD11 ' HB1' ' B' ' 81' ' ' ALA . 50.2 mt -63.5 -48.35 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 122.705 0.402 . . . . 0.0 110.186 -177.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.72 -52.71 51.52 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 179.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.6 mt -50.86 -53.18 14.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -56.71 -57.69 11.33 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.257 0.551 . . . . 0.0 111.649 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -78.38 -16.83 57.25 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -168.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -56.9 -54.83 42.1 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 168.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -70.9 -42.24 70.2 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.742 -178.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m -65.27 -32.55 74.28 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.386 -0.821 . . . . 0.0 110.953 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.53 -48.19 75.9 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 170.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -45.71 -48.26 15.16 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.968 0.907 . . . . 0.0 111.793 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -75.97 67.43 2.33 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.694 0.759 . . . . 0.0 110.394 173.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.52 -69.93 1.4 Allowed Glycine 0 CA--C 1.527 0.816 0 C-N-CA 125.142 1.353 . . . . 0.0 111.885 175.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.1 t0 172.07 85.6 0.0 OUTLIER 'General case' 0 C--O 1.23 0.052 0 C-N-CA 127.135 2.174 . . . . 0.0 107.557 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.26 161.45 18.97 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 174.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -113.74 30.41 7.26 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.405 1.082 . . . . 0.0 108.778 169.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.6 t -155.71 140.46 17.09 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 105.176 -2.157 . . . . 0.0 105.176 -176.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.3 mt -98.65 129.54 45.14 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -178.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.6 t -78.35 172.82 13.05 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.36 0.6 . . . . 0.0 109.514 171.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -56.99 -63.12 1.31 Allowed 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 125.057 1.343 . . . . 0.0 112.179 -168.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -37.6 85.73 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -178.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -61.42 -45.83 92.67 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.594 -0.692 . . . . 0.0 110.686 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.508 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.6 tm? -57.66 -50.75 72.15 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -49.6 -47.36 49.58 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.794 -0.566 . . . . 0.0 110.329 175.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -58.28 -49.47 77.03 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.836 0.854 . . . . 0.0 110.707 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 tt -49.38 -51.34 35.5 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.444 0.698 . . . . 0.0 109.425 173.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.7 mt -63.77 -45.06 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-O 118.631 -0.7 . . . . 0.0 111.777 -178.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -56.71 -40.92 76.5 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.937 1.244 . . . . 0.0 110.595 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -50.34 42.68 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.734 -0.604 . . . . 0.0 111.274 176.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -66.74 -59.28 3.71 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.564 1.146 . . . . 0.0 110.67 -173.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.2 mt -110.83 70.86 0.73 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 126.94 2.096 . . . . 0.0 107.826 -176.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 m -68.24 74.51 0.23 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.808 0.843 . . . . 0.0 111.202 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.491 ' H ' HD13 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -53.3 -32.67 19.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 C-N-CA 124.662 1.185 . . . . 0.0 112.63 -179.329 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.97 -53.49 3.75 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.2 m -63.25 74.15 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.856 1.663 . . . . 0.0 110.986 172.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -51.83 -21.92 3.27 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.447 1.499 . . . . 0.0 113.905 -175.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -49.81 -40.51 42.04 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.486 1.039 . . . . 0.0 110.769 170.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -65.41 -9.2 23.2 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.663 0.785 . . . . 0.0 112.805 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -50.22 -33.16 18.53 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 119.212 0.914 . . . . 0.0 111.213 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.47 -50.96 64.21 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.472 0.578 . . . . 0.0 111.201 171.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -61.1 -44.17 97.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.9 mm -57.88 -45.83 87.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 118.597 -0.716 . . . . 0.0 111.007 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.1 m -68.25 -34.85 68.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 120.161 1.346 . . . . 0.0 111.482 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -58.66 -52.25 66.49 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.086 0.857 . . . . 0.0 110.045 171.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.42 -43.99 75.83 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.53 0.732 . . . . 0.0 110.821 176.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -58.84 -43.4 90.72 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.63 0.772 . . . . 0.0 109.926 176.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.03 -47.63 85.06 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 175.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -54.45 -47.58 72.74 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.793 -0.567 . . . . 0.0 111.098 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mt -56.12 -57.2 13.19 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.504 0.721 . . . . 0.0 110.632 174.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.7 p30 -66.7 -27.35 67.57 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 121.156 -0.965 . . . . 0.0 112.98 -172.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -45.45 -41.59 9.57 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.527 1.131 . . . . 0.0 111.609 -177.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -36.79 -40.5 0.27 Allowed 'General case' 0 C--N 1.344 0.352 0 C-N-CA 125.391 1.476 . . . . 0.0 113.094 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -150.82 59.13 0.93 Allowed 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 173.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 p30 44.44 -80.4 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.627 1.971 . . . . 0.0 114.753 172.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -75.52 -34.18 60.77 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.173 0.989 . . . . 0.0 113.409 -174.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -133.41 151.61 51.83 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.3 0.955 . . . . 0.0 113.251 -169.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.0 t -93.7 100.89 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 126.86 2.064 . . . . 0.0 109.187 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -79.56 148.91 31.57 Favored 'General case' 0 C--N 1.333 -0.115 0 O-C-N 121.923 -0.486 . . . . 0.0 110.759 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -43.46 -62.4 1.09 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -169.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -59.6 -30.95 69.04 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.419 -0.801 . . . . 0.0 111.255 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -75.4 -37.42 60.52 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.876 0.47 . . . . 0.0 109.83 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -55.79 -51.96 65.64 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 168.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.5 mm -55.91 -52.52 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.1 m -54.78 -46.04 74.35 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.257 0.623 . . . . 0.0 111.149 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -61.88 -44.19 97.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 121.939 -0.476 . . . . 0.0 110.425 177.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.7 mt -56.5 -35.39 67.95 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.905 0.775 . . . . 0.0 110.446 172.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.74 -52.52 50.15 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 168.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.76 -44.56 73.74 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.318 -1.107 . . . . 0.0 111.188 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.1 tp -58.61 -46.54 86.81 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.12 0.968 . . . . 0.0 110.027 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.468 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -57.74 -46.18 84.82 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.627 0.771 . . . . 0.0 110.973 175.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 35.6 tpp -60.03 -44.61 94.5 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.173 -0.33 . . . . 0.0 110.871 176.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.5 mt -59.08 -41.58 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.708 0.803 . . . . 0.0 109.443 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -72.52 56.99 0.39 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.167 0.587 . . . . 0.0 109.873 169.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -62.34 -26.48 68.47 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 121.086 -1.009 . . . . 0.0 112.313 -169.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -56.1 -49.32 74.19 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 122.966 0.506 . . . . 0.0 110.159 169.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.05 -43.62 98.14 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.8 -52.26 57.55 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 123.424 0.452 . . . . 0.0 110.376 177.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -55.72 -58.29 8.46 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.129 0.572 . . . . 0.0 110.16 174.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.192 0 CA-C-O 117.01 -1.994 . . . . 0.0 113.342 174.26 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.6 mtm . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 120.976 0.417 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 73.23 -59.52 0.56 Allowed 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 128.418 2.687 . . . . 0.0 111.643 175.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -44.5 -47.34 26.51 Favored Pre-proline 0 CA--C 1.536 0.42 0 C-N-CA 124.378 1.071 . . . . 0.0 113.394 -172.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -59.35 -34.14 97.68 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.067 1.844 . . . . 0.0 113.912 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 65.4 tp -81.75 -45.37 15.75 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.437 0.562 . . . . 0.0 109.986 172.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -49.85 -46.26 51.19 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 123.738 0.815 . . . . 0.0 110.61 -175.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -55.61 -42.59 75.07 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 120.669 0.271 . . . . 0.0 111.343 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.04 -53.21 15.52 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 121.865 -0.522 . . . . 0.0 110.476 -173.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.6 pt -56.82 -42.45 77.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 119.399 -0.92 . . . . 0.0 108.979 173.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.33 -43.12 26.41 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 125.531 1.539 . . . . 0.0 112.47 173.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -62.36 1.9 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.121 0.96 . . . . 0.0 110.039 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -51.22 -47.14 62.39 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.99 0.916 . . . . 0.0 110.257 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.468 HD11 ' HB1' ' A' ' 81' ' ' ALA . 62.4 mt -60.96 -51.93 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 123.018 0.527 . . . . 0.0 109.925 -177.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.28 -55.08 28.31 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 10.2 mt -48.45 -54.99 3.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -59.85 -53.52 56.9 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.232 0.539 . . . . 0.0 111.982 -175.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -74.73 -29.45 61.18 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 121.973 -0.454 . . . . 0.0 111.686 -169.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -57.08 -52.83 63.73 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 170.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -59.67 -46.87 87.75 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 119.355 -0.355 . . . . 0.0 111.14 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 18.6 m -51.21 -45.1 61.78 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.698 0.761 . . . . 0.0 111.366 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.89 -26.74 61.03 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 123.942 0.782 . . . . 0.0 113.109 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -59.4 -49.59 77.21 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 118.43 1.115 . . . . 0.0 110.483 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -85.98 -23.2 26.98 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.826 0.45 . . . . 0.0 110.6 176.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.8 39.09 18.14 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -82.88 -177.95 6.94 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 173.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -71.52 -90.86 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 171.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -141.13 52.25 1.58 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.63 0.772 . . . . 0.0 109.594 -176.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 29.2 m -154.84 114.02 3.66 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.77 1.228 . . . . 0.0 109.814 -173.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 29.6 mt -79.94 166.0 22.07 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 34.0 p -100.15 152.27 20.45 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 167.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -51.69 -43.45 62.78 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -172.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -73.0 -33.1 65.58 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.439 -0.788 . . . . 0.0 110.858 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.05 -39.68 93.67 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.227 -0.92 . . . . 0.0 109.619 172.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.465 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.0 tm? -56.32 -47.56 78.51 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 170.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -52.8 -48.46 66.87 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 120.775 -1.203 . . . . 0.0 111.069 172.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -58.45 -36.01 73.03 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 122.737 0.415 . . . . 0.0 111.793 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.25 -56.42 21.8 Favored 'General case' 0 N--CA 1.458 -0.053 0 C-N-CA 123.953 0.901 . . . . 0.0 109.383 170.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 51.4 mt -56.21 -50.04 73.12 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 C-N-CA 122.639 0.376 . . . . 0.0 111.155 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -56.18 -39.3 72.17 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.629 0.65 . . . . 0.0 110.712 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -72.46 -53.91 10.8 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 121.92 -0.488 . . . . 0.0 111.477 177.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -78.38 -49.84 12.81 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 122.199 -0.313 . . . . 0.0 111.222 -169.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.0 mt -110.33 62.72 0.6 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.767 2.027 . . . . 0.0 108.528 -176.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.2 m -65.09 79.37 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.523 1.129 . . . . 0.0 112.69 -175.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.39 80.9 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 123.858 0.863 . . . . 0.0 110.824 169.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.23 -34.09 16.89 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 125.409 1.48 . . . . 0.0 112.551 174.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.1 m -67.69 73.18 0.16 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.088 0.955 . . . . 0.0 109.815 169.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -50.79 -26.4 5.63 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -168.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 81.3 mt -48.36 -39.0 20.76 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.147 0.885 . . . . 0.0 111.449 172.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -59.52 -13.81 10.49 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.535 0.734 . . . . 0.0 112.94 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -48.47 -34.84 11.81 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.872 1.215 . . . . 0.0 111.278 171.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.47 -48.48 77.0 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.392 0.615 . . . . 0.0 111.103 172.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -62.1 -42.09 98.87 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 24.1 mm -56.8 -45.27 83.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 CA-C-O 117.689 -1.148 . . . . 0.0 110.926 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.267 7.1 m -67.97 -33.73 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 121.008 1.731 . . . . 0.0 112.656 178.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -59.93 -50.43 73.81 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.368 0.986 . . . . 0.0 110.221 170.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -60.95 -41.24 95.93 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.652 0.781 . . . . 0.0 110.889 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 24.6 ttp -57.76 -53.09 62.16 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 125.192 1.397 . . . . 0.0 108.458 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -50.84 -50.07 57.49 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.986 0.514 . . . . 0.0 109.973 175.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -58.32 -45.38 88.16 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.965 -0.459 . . . . 0.0 112.176 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.1 mt -60.19 -52.59 64.65 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.499 0.72 . . . . 0.0 110.903 175.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.33 -19.59 46.18 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -169.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 28.9 ttm105 -53.08 -44.08 67.26 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -52.57 -35.4 53.8 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.831 0.852 . . . . 0.0 112.401 -173.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -130.14 51.85 2.06 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 170.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 24.95 68.25 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 127.603 2.361 . . . . 0.0 115.035 172.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 104.37 -15.95 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 128.675 2.79 . . . . 0.0 112.245 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -105.75 156.57 18.17 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.849 0.86 . . . . 0.0 109.271 171.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 39.9 t -123.86 103.93 13.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -77.72 150.82 34.38 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -44.82 -49.52 10.74 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -56.2 -47.94 77.39 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.796 -0.565 . . . . 0.0 110.161 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -62.98 -43.84 97.68 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.823 0.849 . . . . 0.0 109.553 -176.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -53.16 -55.77 21.55 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.813 0.845 . . . . 0.0 110.658 172.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.1 mm -57.97 -54.58 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 118.673 0.67 . . . . 0.0 110.353 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 96.2 m -51.85 -45.62 64.1 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.728 0.811 . . . . 0.0 111.57 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -64.85 -45.18 87.17 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 122.076 -0.39 . . . . 0.0 110.381 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 76.7 mt -57.21 -34.08 68.17 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.503 -0.748 . . . . 0.0 110.236 173.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.35 -50.58 63.64 Favored Glycine 0 CA--C 1.532 1.136 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 169.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.31 -49.93 68.53 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.804 -0.821 . . . . 0.0 110.639 173.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.7 tp -58.76 -42.01 87.9 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.609 0.764 . . . . 0.0 110.931 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.536 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -57.54 -44.47 85.18 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 121.757 -0.59 . . . . 0.0 110.266 173.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 20.8 ttt -64.31 -39.91 94.86 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.307 -0.246 . . . . 0.0 111.29 176.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 11.2 mm -55.65 -45.83 79.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -73.29 55.7 0.46 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.315 0.646 . . . . 0.0 110.57 172.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -49.95 -39.53 40.85 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.241 1.416 . . . . 0.0 112.306 -173.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -40.99 -45.2 2.54 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.918 1.287 . . . . 0.0 112.293 172.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.9 -34.28 67.76 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.391 0.677 . . . . 0.0 111.596 -178.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 60.9 mt -57.98 -26.72 62.7 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.092 0.557 . . . . 0.0 111.302 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -73.48 -17.44 61.23 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.558 -0.714 . . . . 0.0 110.809 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 117.168 -1.907 . . . . 0.0 111.166 176.517 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 110.595 -0.15 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.22 -39.37 23.18 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 122.726 0.411 . . . . 0.0 110.474 -172.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -42.23 -51.25 10.92 Favored Pre-proline 0 N--CA 1.451 -0.396 0 C-N-CA 125.865 1.666 . . . . 0.0 113.663 -172.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -51.68 -48.4 21.61 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.356 2.704 . . . . 0.0 112.619 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.4 tp -70.78 -45.78 64.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.626 -0.671 . . . . 0.0 109.392 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -53.13 -49.59 66.25 Favored 'General case' 0 N--CA 1.458 -0.063 0 C-N-CA 122.79 0.436 . . . . 0.0 110.479 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -62.04 -40.18 94.84 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.173 -0.329 . . . . 0.0 110.876 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.81 -55.66 27.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.51 0.596 . . . . 0.0 111.476 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 pt -57.79 -43.08 83.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.81 -41.65 20.52 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.56 1.552 . . . . 0.0 112.873 170.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.39 -58.91 5.94 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.222 1.011 . . . . 0.0 109.715 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -50.38 -48.41 55.89 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.802 0.841 . . . . 0.0 109.362 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.45 HD11 ' HB1' ' B' ' 81' ' ' ALA . 68.4 mt -58.23 -52.81 54.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 C-N-CA 122.671 0.389 . . . . 0.0 110.346 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.8 -54.75 29.12 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.1 mt -51.56 -56.37 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -53.14 -53.18 54.32 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.924 0.393 . . . . 0.0 111.452 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -72.14 -28.16 63.07 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 118.424 -0.798 . . . . 0.0 112.743 -172.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -59.03 -55.02 40.49 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.436 1.016 . . . . 0.0 108.919 169.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -61.57 -46.89 87.96 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.761 -178.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.4 m -60.02 -52.15 66.59 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.772 -0.58 . . . . 0.0 109.751 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.1 -45.23 26.84 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 124.642 1.115 . . . . 0.0 111.805 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -50.59 -33.92 23.88 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 117.613 0.707 . . . . 0.0 112.825 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.85 21.56 14.81 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.757 0.708 . . . . 0.0 112.085 176.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.88 -25.77 5.75 Favored Glycine 0 CA--C 1.528 0.864 0 CA-C-O 118.552 -1.138 . . . . 0.0 114.23 169.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -67.05 149.7 50.24 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.709 1.754 . . . . 0.0 110.714 -176.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -96.24 -94.12 0.2 Allowed 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -79.45 27.71 0.26 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -169.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.6 t -155.79 143.72 19.79 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.564 -0.71 . . . . 0.0 109.962 -178.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.7 mt -105.49 139.27 40.36 Favored 'General case' 0 CA--C 1.522 -0.122 0 C-N-CA 125.071 1.348 . . . . 0.0 108.287 169.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.4 p -79.68 155.64 27.94 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.559 0.618 . . . . 0.0 109.963 169.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -48.8 -50.29 34.95 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.772 1.229 . . . . 0.0 113.557 -171.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -76.55 -28.28 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.92 -0.487 . . . . 0.0 110.38 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -66.13 -40.37 90.6 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 173.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.506 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.1 tm? -56.23 -51.18 69.01 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 170.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -53.08 -45.83 68.35 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.083 -1.011 . . . . 0.0 110.672 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -55.3 -48.34 74.24 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.021 0.528 . . . . 0.0 110.537 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 tt -50.37 -55.1 17.1 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 124.155 0.982 . . . . 0.0 109.291 176.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.98 -51.69 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.278 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -63.94 -25.15 68.01 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 118.633 -0.699 . . . . 0.0 112.277 -175.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.86 -57.08 3.71 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 119.387 0.994 . . . . 0.0 110.803 170.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -65.3 -65.09 0.72 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.979 0.895 . . . . 0.0 109.185 -174.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -87.02 55.77 3.72 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 -178.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 t -65.19 117.29 7.57 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.383 -172.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.1 mt -83.3 -32.8 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.676 -169.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.74 -60.59 2.51 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -169.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.5 m -70.97 71.3 0.54 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.58 0.752 . . . . 0.0 110.017 171.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -56.73 -15.33 4.4 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.9 mt -45.99 -37.9 7.11 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.887 0.875 . . . . 0.0 111.747 169.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -64.65 -9.36 19.15 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -52.14 -26.42 11.28 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.695 0.68 . . . . 0.0 112.337 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.39 -50.33 40.77 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.47 0.577 . . . . 0.0 111.98 170.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -64.31 -41.58 96.77 Favored 'General case' 0 C--O 1.231 0.119 0 O-C-N 121.25 -0.906 . . . . 0.0 109.407 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.8 mm -58.35 -38.21 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 118.357 -0.83 . . . . 0.0 110.854 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.251 7.9 m -68.85 -37.59 77.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 120.118 1.327 . . . . 0.0 112.529 176.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -60.65 -51.53 69.0 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.36 0.982 . . . . 0.0 109.595 172.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 tt -53.42 -45.43 69.38 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.289 0.636 . . . . 0.0 111.129 175.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -62.15 -42.96 99.76 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.114 0.965 . . . . 0.0 109.641 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -56.79 -47.65 79.69 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -61.21 -43.27 99.15 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.924 -0.485 . . . . 0.0 111.631 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mt -60.5 -59.77 4.88 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.079 0.552 . . . . 0.0 110.434 173.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -69.82 -21.77 63.36 Favored 'General case' 0 N--CA 1.46 0.074 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -169.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.9 ttp-105 -29.92 -55.08 0.17 Allowed 'General case' 0 C--N 1.342 0.242 0 C-N-CA 126.165 1.786 . . . . 0.0 110.456 169.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -32.72 -51.21 0.28 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 126.831 2.052 . . . . 0.0 114.57 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -135.75 54.86 1.89 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 173.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.267 4.3 p30 52.81 -64.39 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 128.241 2.616 . . . . 0.0 115.998 176.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -120.93 1.66 10.44 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.583 1.953 . . . . 0.0 111.543 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -129.99 150.14 51.4 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.617 0.767 . . . . 0.0 110.182 176.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.2 t -107.05 123.83 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 174.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -79.3 154.41 29.13 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 120.415 1.461 . . . . 0.0 109.822 170.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -43.32 -53.55 5.18 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 174.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -66.3 -36.14 82.19 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 120.969 -1.082 . . . . 0.0 110.897 -175.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -59.46 -50.15 75.06 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 171.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -52.86 -52.22 58.16 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.579 0.352 . . . . 0.0 110.283 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.5 mm -57.12 -54.39 30.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 118.082 0.401 . . . . 0.0 110.336 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.2 m -48.15 -51.63 24.11 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.597 0.759 . . . . 0.0 111.081 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -64.76 -40.44 95.29 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 123.818 0.847 . . . . 0.0 110.428 -178.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.5 mt -57.95 -35.37 71.04 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.667 1.122 . . . . 0.0 110.168 171.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.75 -51.36 58.47 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 168.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.76 -42.2 71.38 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.947 -0.737 . . . . 0.0 110.944 175.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.9 tp -62.13 -44.9 95.61 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.793 1.237 . . . . 0.0 109.774 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.04 -49.2 72.18 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.189 0.596 . . . . 0.0 110.025 172.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -43.74 88.75 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 122.826 0.451 . . . . 0.0 111.014 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.1 mt -66.03 -44.28 92.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 124.644 1.178 . . . . 0.0 110.419 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -53.88 -45.97 71.22 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 171.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 72.45 -57.25 0.63 Allowed 'General case' 0 C--O 1.228 -0.059 0 C-N-CA 125.841 1.656 . . . . 0.0 113.945 166.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -52.36 -40.73 62.36 Favored 'General case' 0 CA--C 1.529 0.163 0 O-C-N 121.824 -0.547 . . . . 0.0 109.61 173.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.09 -39.02 8.74 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.531 1.133 . . . . 0.0 112.526 173.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.0 mt -62.47 -33.33 74.63 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.092 0.557 . . . . 0.0 110.882 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -87.82 -48.9 7.47 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.796 1.238 . . . . 0.0 109.202 -175.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.185 0 CA-C-O 117.256 -1.858 . . . . 0.0 110.044 -179.346 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.39 -58.73 2.77 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.493 1.117 . . . . 0.0 111.379 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -43.47 -60.13 2.78 Favored Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 125.176 1.39 . . . . 0.0 114.603 -172.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -51.92 -44.72 43.31 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.529 2.153 . . . . 0.0 113.0 177.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.1 tp -65.78 -47.63 74.51 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 119.334 -0.946 . . . . 0.0 110.23 177.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -53.32 -50.0 65.89 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.7 0.8 . . . . 0.0 110.086 -177.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -61.14 -40.74 94.95 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.07 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.5 -55.16 34.14 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.664 0.665 . . . . 0.0 111.811 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 31.0 pt -57.71 -44.24 85.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.07 -45.39 9.62 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 125.324 1.44 . . . . 0.0 112.454 170.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.72 -59.74 4.75 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.227 1.011 . . . . 0.0 109.99 -178.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 mp -51.68 -49.52 62.22 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.661 0.784 . . . . 0.0 109.719 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.68 -47.68 88.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.307 -176.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.42 -56.67 23.16 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.8 mt -45.57 -50.37 3.49 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 C-N-CA 123.581 0.752 . . . . 0.0 109.317 177.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -59.48 -65.19 0.71 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.649 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -64.63 -32.95 74.84 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -168.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -56.85 -43.9 81.61 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 173.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -69.19 -47.71 64.14 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 118.301 -0.857 . . . . 0.0 111.423 175.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.5 m -47.7 -44.45 27.6 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 119.598 1.09 . . . . 0.0 111.778 177.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.54 -29.78 7.85 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 123.882 0.753 . . . . 0.0 113.853 177.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -58.87 -42.93 90.59 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.143 0.977 . . . . 0.0 111.749 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -161.27 -37.82 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -174.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.27 -47.42 61.77 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 179.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.3 t70 51.96 29.87 6.64 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.899 1.68 . . . . 0.0 112.736 175.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -154.05 -176.74 6.0 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 127.056 2.143 . . . . 0.0 105.32 177.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -77.38 52.29 0.93 Allowed 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.743 -0.598 . . . . 0.0 110.3 174.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 80.5 p -142.31 159.27 42.56 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.079 1.351 . . . . 0.0 109.695 -176.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 89.8 mt -130.71 130.64 44.08 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 168.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.5 t -78.82 178.39 7.97 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.375 0.534 . . . . 0.0 110.042 173.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -63.6 -64.42 0.9 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.716 0.806 . . . . 0.0 111.142 -169.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -66.19 -33.26 75.36 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.651 -0.655 . . . . 0.0 110.531 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -55.86 -51.3 68.03 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.349 0.659 . . . . 0.0 109.635 173.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.486 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.3 tm? -58.21 -47.5 83.28 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.207 0.603 . . . . 0.0 109.529 174.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -56.79 -39.35 73.92 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 120.846 -1.159 . . . . 0.0 111.233 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -65.03 -34.27 78.03 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.726 0.81 . . . . 0.0 111.144 177.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 tt -58.97 -55.97 28.32 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 169.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 54.5 mt -57.2 -53.47 43.05 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 CA-C-O 119.499 -0.286 . . . . 0.0 110.598 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -52.43 -35.14 51.49 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 118.219 0.463 . . . . 0.0 111.686 -178.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -74.13 -61.15 1.96 Allowed 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 117.748 0.249 . . . . 0.0 110.801 175.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -68.87 -63.18 1.11 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 122.182 0.991 . . . . 0.0 109.244 -172.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 46.5 mt -84.65 74.4 10.44 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.73 70.74 0.13 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.2 1.4 . . . . 0.0 111.491 -175.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 6.2 pt -69.52 76.37 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 124.842 1.257 . . . . 0.0 112.065 -175.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.55 -38.99 14.92 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.147 0.879 . . . . 0.0 111.464 169.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 33.4 t -70.26 70.48 0.4 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.4 0.68 . . . . 0.0 109.72 169.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -53.45 -18.7 2.89 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.786 1.635 . . . . 0.0 114.133 -174.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 83.0 mt -47.61 -35.26 9.01 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.835 0.743 . . . . 0.0 111.575 169.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -59.79 -18.28 42.27 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 178.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -48.76 -45.23 39.54 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.336 0.971 . . . . 0.0 112.726 -173.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.54 -45.85 69.97 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.459 0.647 . . . . 0.0 110.89 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -64.92 -42.19 94.9 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 26.3 mm -56.65 -48.31 80.89 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 CA-C-O 117.888 -1.053 . . . . 0.0 111.078 174.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.257 7.2 m -67.77 -33.82 63.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 120.606 1.548 . . . . 0.0 112.177 -178.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -60.19 -49.47 77.48 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.123 0.874 . . . . 0.0 110.163 170.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.12 -41.43 88.2 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.89 0.876 . . . . 0.0 111.575 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 51.6 ttp -58.14 -53.9 52.99 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.978 1.311 . . . . 0.0 107.992 175.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -50.44 -51.71 44.37 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 123.645 0.59 . . . . 0.0 109.506 175.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -53.78 -51.55 63.07 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.771 0.714 . . . . 0.0 111.925 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.7 mt -53.96 -59.92 4.01 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.377 0.671 . . . . 0.0 110.609 177.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -67.49 -32.35 73.11 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -173.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 45.2 ttm105 -47.69 -42.77 25.71 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 124.043 0.937 . . . . 0.0 110.911 -170.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -49.41 -36.93 23.57 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -176.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -133.21 48.09 2.43 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.38 0.672 . . . . 0.0 109.287 171.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 p30 37.81 -84.71 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.949 2.5 . . . . 0.0 115.232 175.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -61.72 -34.21 75.39 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.629 1.172 . . . . 0.0 111.617 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -140.32 161.82 36.78 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 118.556 0.616 . . . . 0.0 111.927 -175.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 10.6 p -103.63 129.4 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 166.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -84.59 154.8 22.38 Favored 'General case' 0 CA--C 1.526 0.044 0 O-C-N 121.99 -0.444 . . . . 0.0 109.878 175.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -40.77 -51.8 3.05 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.751 1.22 . . . . 0.0 114.072 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.0 tp60 -59.8 -45.56 91.92 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.193 -0.942 . . . . 0.0 110.436 -178.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.08 -40.24 94.38 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.688 0.795 . . . . 0.0 109.671 -178.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -55.01 -53.62 53.47 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.401 0.681 . . . . 0.0 110.331 172.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.0 mm -57.6 -53.04 49.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 118.257 0.48 . . . . 0.0 109.924 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 61.7 m -51.77 -47.16 64.29 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.911 -0.493 . . . . 0.0 111.499 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -61.72 -46.2 90.67 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 122.554 0.342 . . . . 0.0 110.217 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 79.1 mt -57.73 -36.33 71.9 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.605 0.639 . . . . 0.0 110.53 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.69 -51.26 57.87 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 169.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.15 -44.21 83.21 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.712 -0.876 . . . . 0.0 110.943 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 tp -57.4 -48.83 78.07 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.285 1.034 . . . . 0.0 109.81 177.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.45 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -58.82 -41.1 86.07 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.719 0.807 . . . . 0.0 111.016 176.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 21.5 ttt -66.36 -41.37 89.58 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.975 -0.453 . . . . 0.0 111.085 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 66.6 mt -59.96 -40.28 82.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.758 0.823 . . . . 0.0 109.203 173.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -71.42 55.39 0.23 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.513 0.725 . . . . 0.0 110.211 169.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -27.46 68.61 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 120.9 -1.125 . . . . 0.0 111.219 -170.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -56.76 -36.57 69.94 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.714 -0.616 . . . . 0.0 111.729 172.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.55 89.13 Favored 'General case' 0 CA--C 1.528 0.12 0 O-C-N 121.969 -0.457 . . . . 0.0 109.877 175.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 mt -60.13 -45.67 92.24 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.486 176.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.85 -46.64 89.78 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.311 0.645 . . . . 0.0 110.357 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.094 0 CA-C-O 116.95 -2.028 . . . . 0.0 111.109 -173.935 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.3 mtp . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 111.378 0.14 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.86 -57.57 0.46 Allowed 'General case' 0 C--O 1.235 0.299 0 C-N-CA 130.159 3.384 . . . . 0.0 111.888 179.259 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -39.17 -49.43 4.43 Favored Pre-proline 0 N--CA 1.446 -0.64 0 C-N-CA 127.83 2.452 . . . . 0.0 112.818 179.543 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -53.63 -46.63 32.32 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.815 2.343 . . . . 0.0 113.048 179.306 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 tp -74.2 -45.82 45.9 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.217 178.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -53.05 -46.8 68.69 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 122.702 0.401 . . . . 0.0 110.708 -176.205 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -62.91 -37.24 86.19 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.068 -0.395 . . . . 0.0 111.306 177.791 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.67 -52.57 29.66 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.733 -0.604 . . . . 0.0 111.088 -178.712 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.6 pt -57.75 -42.8 82.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 173.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.58 -41.73 18.9 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 125.418 1.485 . . . . 0.0 112.628 170.274 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.15 -58.3 7.68 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.581 1.191 . . . . 0.0 109.661 178.769 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mp -51.51 -47.08 63.43 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 122.963 0.505 . . . . 0.0 110.018 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -60.28 -57.69 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 178.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.68 -50.06 26.33 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 124.814 1.197 . . . . 0.0 111.553 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.1 mt -54.0 -60.17 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 175.212 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.12 -51.73 56.0 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 121.411 0.624 . . . . 0.0 111.226 -176.147 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -73.24 -26.74 61.24 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 117.917 -1.04 . . . . 0.0 112.663 -172.263 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -70.8 -42.79 69.85 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.476 1.489 . . . . 0.0 110.069 171.51 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -64.65 -44.34 90.76 Favored 'General case' 0 C--N 1.34 0.172 0 O-C-N 121.758 -0.589 . . . . 0.0 111.256 177.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.5 t -55.63 -52.14 64.81 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 170.108 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -42.25 -49.59 5.52 Favored Glycine 0 C--N 1.337 0.608 0 C-N-CA 126.369 1.938 . . . . 0.0 112.698 175.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -48.5 -33.32 9.27 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.242 1.017 . . . . 0.0 112.323 178.349 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -120.59 31.42 6.45 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.029 1.331 . . . . 0.0 111.268 178.073 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.44 106.88 0.9 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.624 -0.991 . . . . 0.0 110.624 -178.016 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.09 123.77 17.71 Favored 'General case' 0 CA--C 1.529 0.147 0 O-C-N 122.416 -0.461 . . . . 0.0 111.822 -175.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -141.29 -175.3 4.29 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 126.071 1.748 . . . . 0.0 107.061 172.395 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -87.29 22.8 2.02 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.492 -0.755 . . . . 0.0 110.651 170.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.2 p -145.5 144.39 30.53 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 126.408 1.883 . . . . 0.0 107.846 -172.64 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 pp -143.09 150.35 39.39 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.108 0.413 . . . . 0.0 110.653 168.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.0 m -78.12 156.38 29.98 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -167.792 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -42.88 -54.89 3.96 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 126.531 1.933 . . . . 0.0 112.517 -178.791 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -70.84 -32.14 69.08 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.741 -0.599 . . . . 0.0 110.914 -178.164 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -64.8 -40.14 94.74 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.436 -0.79 . . . . 0.0 109.158 176.067 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.536 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.8 tm? -57.24 -50.59 72.4 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 170.358 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -54.12 -42.55 69.6 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 120.918 -1.114 . . . . 0.0 111.382 176.69 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -58.11 -50.1 74.65 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tt -49.47 -55.5 13.0 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 124.512 1.125 . . . . 0.0 110.178 176.61 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.16 -56.49 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -177.398 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -56.24 -34.14 66.06 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 118.998 -0.525 . . . . 0.0 111.576 -174.408 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -78.09 -59.52 2.75 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 118.565 0.62 . . . . 0.0 110.745 176.355 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -73.72 -49.51 25.33 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 123.19 0.596 . . . . 0.0 111.655 -168.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -99.0 73.62 1.95 Allowed 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 176.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.76 75.9 0.11 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.899 1.28 . . . . 0.0 112.748 -169.563 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -19.42 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -179.188 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.52 -69.19 1.76 Allowed Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.393 0.997 . . . . 0.0 113.109 169.084 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.4 m -71.25 87.94 0.83 Allowed 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -179.202 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -55.91 -14.74 2.66 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.53 1.132 . . . . 0.0 114.022 -173.878 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.3 mt -53.73 -24.75 15.85 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.922 0.783 . . . . 0.0 111.434 169.007 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -68.14 -3.96 12.17 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.703 0.801 . . . . 0.0 112.811 173.657 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -43.93 -44.15 6.93 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 119.828 1.194 . . . . 0.0 112.715 177.792 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.31 -48.69 55.1 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.02 0.928 . . . . 0.0 111.496 173.137 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -60.41 -47.61 85.33 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 176.407 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.3 mm -56.3 -44.45 79.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.644 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.2 m -71.95 -34.42 50.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 120.18 1.355 . . . . 0.0 112.687 179.566 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.29 -51.51 69.66 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.551 1.069 . . . . 0.0 109.71 171.709 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 tt -57.68 -43.4 85.04 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.676 0.791 . . . . 0.0 110.927 176.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 45.7 ttp -57.11 -47.69 80.46 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 123.62 0.768 . . . . 0.0 108.957 175.64 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -55.08 -49.11 72.49 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 118.294 0.497 . . . . 0.0 109.87 175.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -54.41 -47.25 72.98 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 177.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.1 -61.9 2.27 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 122.992 0.517 . . . . 0.0 110.665 174.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -65.91 -12.43 54.63 Favored 'General case' 0 C--O 1.228 -0.072 0 C-N-CA 124.511 1.125 . . . . 0.0 113.628 -174.383 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -48.62 -28.22 3.34 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.859 0.754 . . . . 0.0 110.083 168.272 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -38.69 -53.49 1.64 Allowed 'General case' 0 C--N 1.342 0.271 0 C-N-CA 124.964 1.306 . . . . 0.0 112.468 167.749 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 pttp 179.11 153.53 0.41 Allowed 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 127.155 2.182 . . . . 0.0 109.055 178.27 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -53.0 142.86 18.61 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.404 0.682 . . . . 0.0 111.249 -177.399 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 72.41 -58.2 0.6 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.375 1.87 . . . . 0.0 113.357 170.165 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -108.13 118.8 37.7 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.752 1.221 . . . . 0.0 112.053 -169.657 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.0 t -79.79 123.75 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 168.22 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -86.57 146.52 26.32 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.026 0.53 . . . . 0.0 110.827 178.219 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -40.64 -54.63 2.54 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.057 1.743 . . . . 0.0 113.524 177.572 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -58.31 -46.69 85.68 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.75 -0.594 . . . . 0.0 110.089 -175.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -70.01 -35.23 74.21 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -176.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -53.54 -55.27 27.01 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 119.266 -0.397 . . . . 0.0 110.287 169.272 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 21.0 mm -57.69 -51.34 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 118.998 0.817 . . . . 0.0 110.28 178.785 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.8 m -49.3 -51.8 31.64 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.515 0.726 . . . . 0.0 110.205 179.33 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -63.77 -42.38 97.81 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 123.127 0.571 . . . . 0.0 110.786 -178.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.0 mt -56.19 -37.04 69.06 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.236 0.926 . . . . 0.0 110.516 173.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.421 ' CA ' HG21 ' B' ' 74' ' ' ILE . . . -55.22 -51.49 53.76 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.611 -0.595 . . . . 0.0 111.611 169.476 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.3 84.87 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.223 -0.575 . . . . 0.0 110.664 177.177 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 tp -56.13 -48.58 75.95 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.361 1.064 . . . . 0.0 109.927 178.55 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.425 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -57.5 -49.72 75.41 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.323 0.649 . . . . 0.0 110.828 176.143 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -55.68 -46.58 77.57 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.047 0.539 . . . . 0.0 110.642 178.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.3 mt -66.32 -45.55 89.35 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 125.144 1.377 . . . . 0.0 110.463 -177.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -51.64 -50.69 59.8 Favored 'General case' 0 C--N 1.34 0.17 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 172.548 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 71.46 -54.85 0.67 Allowed 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 125.871 1.668 . . . . 0.0 114.193 168.005 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -51.45 -36.8 45.7 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.432 1.093 . . . . 0.0 110.411 171.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.53 -44.68 62.71 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.42 0.688 . . . . 0.0 111.277 171.477 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.6 mt -67.91 -52.32 37.64 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 174.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -77.03 52.11 0.85 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.95 0.9 . . . . 0.0 110.964 -177.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 117.153 -1.915 . . . . 0.0 109.805 -175.786 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.472 0.672 0 CA-C-O 118.975 -0.536 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.66 -61.18 0.37 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 128.927 2.891 . . . . 0.0 110.747 -175.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -38.42 -58.49 1.54 Allowed Pre-proline 0 N--CA 1.445 -0.678 0 C-N-CA 129.058 2.943 . . . . 0.0 114.054 -179.153 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -55.63 -52.05 8.44 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.201 1.934 . . . . 0.0 112.962 -173.081 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -71.33 -45.26 63.41 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.772 178.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -53.11 -48.09 68.12 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 122.272 0.229 . . . . 0.0 111.312 -176.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -64.52 -37.87 89.06 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 118.111 0.414 . . . . 0.0 110.77 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.4 -54.03 34.63 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 121.779 -0.575 . . . . 0.0 111.419 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 30.1 pt -56.96 -43.41 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 175.099 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.22 -40.94 14.99 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 125.917 1.722 . . . . 0.0 113.095 171.013 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.411 ' CD1' HD12 ' B' ' 15' ' ' ILE . 0.4 OUTLIER -63.07 -60.73 3.05 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.55 1.175 . . . . 0.0 109.619 179.791 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -49.66 -48.92 49.08 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.78 0.832 . . . . 0.0 109.708 178.244 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.425 HD11 ' HB1' ' A' ' 81' ' ' ALA . 64.5 mt -57.97 -55.57 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 123.715 0.806 . . . . 0.0 110.075 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.21 -54.04 31.41 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -178.256 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.411 HD12 ' CD1' ' B' ' 11' ' ' LEU . 6.9 mt -51.26 -57.62 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 177.883 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -53.11 -60.15 3.65 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.459 0.647 . . . . 0.0 111.613 -176.715 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -26.15 65.56 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 118.74 -0.648 . . . . 0.0 111.596 -169.145 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -58.38 -55.55 33.59 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.31 0.959 . . . . 0.0 109.3 169.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -59.24 -48.97 79.65 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.48 -179.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.8 m -50.59 -50.96 52.54 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.378 0.99 . . . . 0.0 111.526 172.486 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.24 -40.62 60.41 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 124.897 1.237 . . . . 0.0 111.801 179.357 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -48.91 -40.39 29.82 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 117.594 0.697 . . . . 0.0 111.89 176.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -104.69 20.8 18.0 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.625 0.77 . . . . 0.0 111.453 179.618 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.06 25.59 57.04 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.096 0.855 . . . . 0.0 113.075 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -95.43 154.29 17.27 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 175.43 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -97.94 -115.22 0.14 Allowed 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.216 1.006 . . . . 0.0 108.457 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -80.16 39.9 0.46 Allowed 'General case' 0 CA--C 1.536 0.421 0 O-C-N 120.876 -1.14 . . . . 0.0 111.583 -170.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 20.9 m -155.2 155.65 34.26 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.233 1.813 . . . . 0.0 106.568 -177.157 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.0 tt -150.83 134.03 16.12 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.084 0.954 . . . . 0.0 108.519 -168.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.2 t -78.73 175.73 10.17 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 122.198 0.999 . . . . 0.0 113.517 -172.123 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -66.59 -71.65 0.19 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 127.363 2.265 . . . . 0.0 111.753 -168.548 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -64.13 -28.79 70.0 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.489 -0.757 . . . . 0.0 109.788 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.14 -40.79 96.91 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 121.737 -0.602 . . . . 0.0 111.03 174.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.503 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.3 tm? -54.9 -48.42 73.07 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-N 119.049 0.84 . . . . 0.0 108.82 170.338 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -56.74 -41.59 77.8 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 119.387 -0.925 . . . . 0.0 111.165 177.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -56.94 -50.4 72.73 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.089 0.556 . . . . 0.0 110.627 174.486 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tt -48.88 -53.52 19.17 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 123.946 0.898 . . . . 0.0 109.26 174.694 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 50.3 mt -60.96 -57.49 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-O 119.127 -0.463 . . . . 0.0 110.35 -178.03 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -55.88 -40.07 72.44 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.979 0.809 . . . . 0.0 111.998 -176.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -80.99 -41.2 23.13 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.725 0.693 . . . . 0.0 112.287 -174.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -81.2 -58.68 2.95 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.36 0.527 . . . . 0.0 110.292 178.836 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -86.49 73.17 10.16 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -179.071 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 45.7 p -72.28 69.23 0.79 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.329 0.652 . . . . 0.0 110.921 -177.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 23.3 pt -68.53 132.3 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 170.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.96 -32.96 73.83 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 174.629 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.2 p -75.09 63.67 1.3 Allowed 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.967 1.707 . . . . 0.0 111.655 -174.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -56.41 -19.03 13.05 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.597 0.759 . . . . 0.0 111.89 174.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.45 HD22 ' H ' ' B' ' 48' ' ' LEU . 3.2 mm? -47.86 -32.99 6.82 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.895 0.878 . . . . 0.0 111.364 169.632 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -71.1 5.25 2.19 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -45.16 -46.74 12.23 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 119.835 1.198 . . . . 0.0 111.987 -179.067 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.02 -46.83 61.69 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.426 0.69 . . . . 0.0 111.197 175.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -66.0 -43.15 88.6 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.563 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 29.1 mm -57.36 -46.51 85.44 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-O 118.66 -0.686 . . . . 0.0 110.619 176.079 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.251 26.1 m -70.95 -32.74 49.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 119.89 1.223 . . . . 0.0 112.406 -179.093 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -59.32 -52.63 64.8 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.355 0.979 . . . . 0.0 109.481 169.608 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.81 -44.95 70.63 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.054 0.941 . . . . 0.0 111.153 176.453 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 54.2 ttp -58.66 -50.47 73.73 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 124.395 1.078 . . . . 0.0 108.985 177.014 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -54.0 -47.57 71.32 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.748 0.819 . . . . 0.0 110.155 177.734 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -58.01 -52.18 66.59 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 122.173 -0.329 . . . . 0.0 110.644 177.405 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -55.27 -51.43 66.67 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.18 0.592 . . . . 0.0 111.22 177.339 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -71.98 -28.98 63.78 Favored 'General case' 0 CA--C 1.529 0.147 0 O-C-N 121.36 -0.837 . . . . 0.0 112.94 -173.555 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.56 -48.55 2.87 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.365 1.066 . . . . 0.0 111.195 -178.273 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -26.02 -51.53 0.04 OUTLIER 'General case' 0 C--N 1.339 0.137 0 C-N-CA 126.845 2.058 . . . . 0.0 114.086 172.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -143.46 58.07 1.38 Allowed 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 174.611 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.256 2.7 p30 54.49 -70.91 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 127.708 2.403 . . . . 0.0 114.801 177.027 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -103.84 -31.08 9.96 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.692 1.597 . . . . 0.0 110.387 178.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -95.77 119.65 34.63 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 123.195 0.598 . . . . 0.0 110.652 -169.08 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 22.5 t -81.26 113.95 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 169.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -77.94 153.45 32.51 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.237 0.926 . . . . 0.0 109.764 175.41 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -50.15 -48.4 53.78 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 176.727 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -58.68 -48.57 80.63 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.553 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -54.89 -48.83 72.51 Favored 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.125 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -52.49 -54.76 28.17 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 119.308 -0.377 . . . . 0.0 110.915 177.591 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.421 HG21 ' CA ' ' A' ' 78' ' ' GLY . 20.2 mm -59.51 -51.18 75.72 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 118.885 0.766 . . . . 0.0 110.623 -179.594 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 32.1 m -52.61 -48.45 66.29 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.751 0.82 . . . . 0.0 110.0 -179.734 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -63.29 -43.01 99.11 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 123.966 0.906 . . . . 0.0 110.287 179.28 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 85.2 mt -58.38 -34.59 70.88 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.477 1.035 . . . . 0.0 110.468 173.589 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.46 -50.57 63.89 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 168.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.3 74.71 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.776 -0.838 . . . . 0.0 111.714 174.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.2 tp -64.23 -45.07 89.79 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.26 1.024 . . . . 0.0 109.479 178.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.23 -43.96 79.13 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.134 0.574 . . . . 0.0 110.253 171.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 41.7 ttm -61.71 -42.22 98.65 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 122.099 -0.376 . . . . 0.0 111.767 175.099 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 70.9 mt -58.35 -43.1 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 175.005 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -74.73 50.93 0.46 Allowed 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.72 -0.613 . . . . 0.0 109.979 169.386 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.54 -32.45 50.65 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 124.255 1.022 . . . . 0.0 112.618 -167.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -50.16 -42.56 51.14 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 122.73 0.412 . . . . 0.0 111.204 176.002 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.07 -33.19 64.79 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.247 0.619 . . . . 0.0 111.146 177.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 16.0 mt -74.29 6.79 3.29 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -179.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -93.97 0.14 55.88 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.691 0.678 . . . . 0.0 109.805 167.365 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 117.043 -1.976 . . . . 0.0 110.817 -175.821 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 ptp . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 121.254 0.549 . . . . 0.0 112.134 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.77 -63.93 0.34 Allowed 'General case' 0 C--O 1.231 0.085 0 C-N-CA 129.827 3.251 . . . . 0.0 111.47 173.652 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 p -36.55 -57.44 1.17 Allowed Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 128.393 2.677 . . . . 0.0 114.906 -169.578 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -59.28 -42.03 53.56 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 121.691 1.594 . . . . 0.0 113.176 -174.09 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.3 tp -81.01 -43.64 19.29 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 118.695 0.68 . . . . 0.0 110.077 176.379 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.06 -42.75 63.39 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.909 0.883 . . . . 0.0 111.21 -177.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -58.0 -43.69 86.76 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 119.338 0.972 . . . . 0.0 110.712 176.291 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.17 -54.99 16.09 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 122.324 -0.235 . . . . 0.0 110.617 -174.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.8 pt -59.81 -41.88 87.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 119.41 -0.916 . . . . 0.0 109.491 177.161 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.97 -41.5 37.21 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 125.198 1.38 . . . . 0.0 112.157 172.048 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.405 ' CD1' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -60.71 -60.26 4.09 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.546 1.139 . . . . 0.0 109.573 -179.882 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -51.42 -47.06 63.11 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.487 0.715 . . . . 0.0 110.118 178.306 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.482 HD11 ' HB1' ' B' ' 81' ' ' ALA . 70.9 mt -59.47 -52.29 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.394 0.677 . . . . 0.0 110.025 179.89 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.19 -53.32 45.63 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 -178.585 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.405 HD12 ' CD1' ' A' ' 11' ' ' LEU . 7.5 mt -49.4 -55.02 4.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 176.77 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -57.44 -57.24 13.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.998 -175.401 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -72.78 -28.38 62.56 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 118.811 -0.614 . . . . 0.0 111.468 -169.225 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -61.46 -51.45 68.65 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.926 0.785 . . . . 0.0 109.23 170.129 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -59.13 -38.95 80.87 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 178.376 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.1 m -62.56 -50.55 70.86 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.963 -0.46 . . . . 0.0 109.979 175.525 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.12 -39.42 49.91 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 124.718 1.152 . . . . 0.0 111.79 175.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -51.75 -34.89 41.4 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 117.626 0.713 . . . . 0.0 112.232 177.681 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -109.96 22.09 16.04 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.578 0.751 . . . . 0.0 111.339 176.549 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 54.34 30.08 47.88 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.228 0.918 . . . . 0.0 113.124 -179.374 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -99.85 153.06 19.45 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 175.644 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -89.29 -122.64 0.06 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.281 1.032 . . . . 0.0 108.497 -173.211 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -81.62 41.97 0.66 Allowed 'General case' 0 CA--C 1.536 0.424 0 O-C-N 120.188 -1.57 . . . . 0.0 111.256 -177.358 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.2 m -153.34 143.21 22.06 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.399 1.48 . . . . 0.0 107.642 -177.427 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.6 mt -112.49 157.56 20.96 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 125.758 1.623 . . . . 0.0 108.867 174.61 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.2 p -86.33 156.56 20.17 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 166.127 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -40.33 73.86 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.043 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -38.18 64.82 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.328 -0.858 . . . . 0.0 110.468 179.368 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -61.62 -43.56 98.64 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.109 0.868 . . . . 0.0 109.511 175.189 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.548 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -52.5 -49.22 65.19 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 169.331 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -53.69 -43.55 69.01 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.892 -1.13 . . . . 0.0 111.199 178.376 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -46.94 88.71 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.576 0.35 . . . . 0.0 110.895 175.659 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 tt -48.54 -52.96 20.11 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 123.604 0.762 . . . . 0.0 109.5 175.107 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.445 HG21 HD12 ' A' ' 53' ' ' ILE . 69.5 mt -57.4 -52.77 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 176.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.72 -39.53 68.32 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.292 0.496 . . . . 0.0 111.395 -174.787 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.11 -53.39 8.96 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 178.225 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -75.32 -64.31 1.09 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 122.243 1.021 . . . . 0.0 109.239 -174.33 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.3 mt -87.06 75.18 9.52 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -174.175 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.4 p -68.57 74.47 0.26 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.369 1.068 . . . . 0.0 110.548 179.231 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 pt -54.72 158.2 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 126.108 1.763 . . . . 0.0 112.325 176.176 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.24 95.9 0.01 OUTLIER Glycine 0 C--N 1.34 0.787 0 C-N-CA 126.147 1.832 . . . . 0.0 112.711 -170.181 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m 45.52 32.74 1.18 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.356 1.462 . . . . 0.0 112.224 -176.045 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.3 mttp 49.88 29.14 3.16 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.932 1.293 . . . . 0.0 113.741 -176.125 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.4 mt -75.16 -30.75 60.82 Favored 'General case' 0 CA--C 1.528 0.13 0 O-C-N 121.677 -0.64 . . . . 0.0 110.491 175.455 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -76.34 33.93 0.13 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.421 1.088 . . . . 0.0 112.26 -171.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.54 -42.91 91.4 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 121.31 -0.869 . . . . 0.0 112.359 -168.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.08 -44.54 71.27 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.94 0.4 . . . . 0.0 110.139 176.377 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -62.22 -46.27 89.61 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.102 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.445 HD12 HG21 ' A' ' 38' ' ' ILE . 21.7 mm -51.95 -52.37 23.56 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.624 173.59 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.295 15.2 m -70.47 -32.37 49.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 120.241 1.382 . . . . 0.0 112.646 -173.855 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -56.82 -50.56 72.01 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.205 0.911 . . . . 0.0 109.074 169.093 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tt -60.36 -40.66 91.56 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.449 0.699 . . . . 0.0 112.069 178.253 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -36.62 77.26 Favored 'General case' 0 CA--C 1.523 -0.074 0 O-C-N 121.133 -0.979 . . . . 0.0 109.27 -178.51 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.93 -54.27 48.85 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 169.373 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -52.52 -46.87 66.88 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.013 0.37 . . . . 0.0 111.529 -178.188 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 mt -55.75 -66.16 0.47 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.042 0.537 . . . . 0.0 109.957 171.661 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 p30 -59.72 -22.59 62.25 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -171.521 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.7 ttt85 -52.47 -28.86 21.95 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 125.328 1.451 . . . . 0.0 111.511 175.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.408 HD21 ' HA ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -49.13 -29.74 5.72 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 172.543 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -128.39 -63.43 0.99 Allowed 'General case' 0 C--N 1.34 0.175 0 C-N-CA 124.358 1.063 . . . . 0.0 110.44 174.22 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 173.46 -54.2 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 127.45 2.3 . . . . 0.0 109.725 179.229 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -143.23 6.6 1.53 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.108 1.363 . . . . 0.0 111.542 -169.065 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -136.16 154.63 50.91 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.755 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.408 ' HA ' HD21 ' A' ' 63' ' ' ASN . 8.1 t -117.67 114.33 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 124.635 1.174 . . . . 0.0 107.993 177.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -78.74 146.85 33.66 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 120.083 -0.647 . . . . 0.0 109.551 175.384 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -42.01 -55.87 3.01 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -60.54 -42.59 96.82 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.64 -0.662 . . . . 0.0 109.637 -174.65 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -69.8 -35.25 74.68 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.704 0.801 . . . . 0.0 110.077 -177.235 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.09 -53.3 57.63 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.196 0.598 . . . . 0.0 109.66 169.593 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.5 mt -62.94 -43.07 98.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 118.896 0.771 . . . . 0.0 111.4 179.083 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.0 m -49.42 -51.49 35.02 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.331 0.586 . . . . 0.0 109.678 173.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -61.25 -43.65 98.53 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.917 -0.563 . . . . 0.0 111.172 177.238 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.3 mt -56.04 -32.3 63.92 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.877 1.217 . . . . 0.0 110.856 175.353 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.11 -48.24 86.87 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 121.593 -0.692 . . . . 0.0 111.49 169.114 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.22 86.27 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.767 -0.843 . . . . 0.0 110.986 173.07 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.22 -44.13 97.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 121.555 -0.715 . . . . 0.0 109.973 179.172 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.09 -45.86 83.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.329 0.652 . . . . 0.0 110.395 172.461 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.5 ttt -60.72 -36.45 78.87 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.748 -0.595 . . . . 0.0 112.19 175.585 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.2 mt -69.91 -42.62 79.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.084 0.954 . . . . 0.0 110.498 176.781 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -52.3 -50.91 61.25 Favored 'General case' 0 C--N 1.342 0.246 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 170.55 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 71.61 -59.47 0.55 Allowed 'General case' 0 C--O 1.23 0.068 0 C-N-CA 126.637 1.975 . . . . 0.0 113.524 168.447 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -52.59 -40.09 62.28 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.329 1.052 . . . . 0.0 109.943 177.205 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.73 -42.07 64.55 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.452 0.701 . . . . 0.0 111.629 173.092 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.1 mt -70.14 -46.06 65.52 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -58.04 -39.56 78.74 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.557 0.343 . . . . 0.0 111.112 -179.274 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.158 0 CA-C-O 116.952 -2.026 . . . . 0.0 110.122 174.829 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 121.719 0.771 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.87 -53.78 5.35 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 121.771 -0.58 . . . . 0.0 110.531 -170.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.95 -48.43 30.12 Favored Pre-proline 0 N--CA 1.451 -0.38 0 C-N-CA 125.369 1.468 . . . . 0.0 113.227 -175.034 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -53.21 -36.8 78.98 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.071 2.514 . . . . 0.0 113.988 176.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 62.9 tp -80.33 -48.18 13.37 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 119.146 0.885 . . . . 0.0 109.808 174.266 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -52.55 -44.02 65.56 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 122.253 0.221 . . . . 0.0 110.89 -176.217 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -59.79 -39.05 83.63 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 117.928 0.331 . . . . 0.0 111.329 175.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.06 -54.53 17.65 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.364 0.529 . . . . 0.0 110.009 -176.365 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 25.0 pt -58.13 -43.09 84.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.68 -44.08 22.87 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 125.03 1.3 . . . . 0.0 112.482 170.221 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.421 ' CD1' HD12 ' B' ' 15' ' ' ILE . 0.3 OUTLIER -58.14 -59.17 5.7 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.646 1.178 . . . . 0.0 109.448 -179.727 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -52.58 -48.03 66.48 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.287 0.635 . . . . 0.0 110.456 178.386 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.1 mt -61.92 -50.17 81.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 C-N-CA 123.106 0.562 . . . . 0.0 110.103 -176.634 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.96 -47.91 88.88 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 125.045 1.307 . . . . 0.0 110.023 -177.71 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.421 HD12 ' CD1' ' B' ' 11' ' ' LEU . 8.7 mt -53.16 -55.81 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 174.539 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -52.64 -59.26 4.69 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.167 -176.044 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -69.24 -27.98 65.94 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -172.319 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -59.22 -54.8 42.72 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 170.003 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -62.22 -42.85 99.68 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 119.568 -0.253 . . . . 0.0 111.676 -178.671 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -57.91 -50.7 72.46 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.844 0.747 . . . . 0.0 110.401 173.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.74 -42.01 51.79 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.927 1.251 . . . . 0.0 111.322 178.522 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -49.5 -38.83 31.79 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 117.463 0.631 . . . . 0.0 112.054 176.551 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -107.77 25.34 11.65 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.826 0.85 . . . . 0.0 111.274 178.212 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 54.81 28.89 48.7 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.426 1.013 . . . . 0.0 113.406 177.864 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -101.28 157.13 17.01 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.666 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -97.82 -116.25 0.14 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.509 1.124 . . . . 0.0 109.044 -178.059 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -79.6 37.78 0.36 Allowed 'General case' 0 CA--C 1.538 0.49 0 O-C-N 120.946 -1.096 . . . . 0.0 111.772 -174.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 98.7 m -148.9 151.37 34.54 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.762 1.225 . . . . 0.0 108.423 -176.434 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 76.5 mt -128.19 148.6 50.62 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 126.683 1.993 . . . . 0.0 108.05 175.204 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.3 p -84.44 162.98 19.74 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.643 0.656 . . . . 0.0 110.556 168.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -45.45 -54.58 7.19 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.41 1.484 . . . . 0.0 113.189 176.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -77.4 -33.48 55.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.768 -172.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -60.12 -42.36 94.59 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 171.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.524 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.3 tm? -59.34 -49.98 75.72 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 174.178 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -51.44 -49.32 61.91 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.172 -0.955 . . . . 0.0 110.175 176.418 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -55.35 -47.77 75.23 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.644 0.777 . . . . 0.0 111.146 179.243 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 tt -48.21 -53.97 15.14 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 124.239 1.016 . . . . 0.0 108.863 173.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 66.2 mt -65.0 -36.54 78.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 O-C-N 121.804 -0.56 . . . . 0.0 112.082 -178.594 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -61.55 -43.26 99.18 Favored 'General case' 0 N--CA 1.456 -0.13 0 O-C-N 121.561 -0.712 . . . . 0.0 109.746 178.264 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -54.13 18.58 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.294 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.9 -57.21 10.49 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.134 0.574 . . . . 0.0 112.151 -172.675 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 27.5 mt -94.93 -42.89 8.43 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 122.61 0.364 . . . . 0.0 110.584 -171.48 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.6 m 58.82 51.64 7.33 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.35 0.595 . . . . 0.0 110.608 177.025 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -57.45 142.77 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -174.56 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -32.76 95.93 0.01 OUTLIER Glycine 0 CA--C 1.527 0.844 0 C-N-CA 127.215 2.34 . . . . 0.0 114.225 -174.093 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.5 m 43.7 34.97 0.92 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.735 1.614 . . . . 0.0 113.279 179.417 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? 56.49 18.45 3.53 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.676 1.19 . . . . 0.0 113.22 -179.493 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.09 -34.64 72.22 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 120.842 -1.161 . . . . 0.0 110.209 179.287 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -80.13 14.64 1.8 Allowed 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 118.411 -0.805 . . . . 0.0 112.678 179.165 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -49.45 -41.31 39.81 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 120.167 1.349 . . . . 0.0 112.472 -175.342 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.33 -47.54 65.97 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.433 0.635 . . . . 0.0 111.092 174.384 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -65.71 -42.01 91.61 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.732 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 47.6 mm -54.48 -49.74 63.43 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 CA-C-O 118.788 -0.625 . . . . 0.0 110.31 174.707 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . 0.275 16.4 m -67.87 -35.54 72.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 119.534 1.061 . . . . 0.0 112.443 -178.533 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -59.09 -55.22 37.82 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.552 1.069 . . . . 0.0 110.217 171.511 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 tt -51.79 -46.66 64.3 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.066 0.946 . . . . 0.0 110.912 176.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -63.35 -41.52 98.85 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.31 1.044 . . . . 0.0 109.726 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -58.85 -47.96 83.03 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 174.9 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -57.62 -48.7 78.71 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.826 -0.546 . . . . 0.0 110.582 179.057 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.1 mt -56.34 -53.07 61.62 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.036 0.535 . . . . 0.0 111.335 174.636 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -76.1 -20.81 57.34 Favored 'General case' 0 CA--C 1.527 0.061 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -169.171 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -43.32 -43.45 5.01 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.198 0.999 . . . . 0.0 109.602 175.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -22.33 -57.57 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 127.324 2.25 . . . . 0.0 113.735 168.245 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -138.54 60.99 1.59 Allowed 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 172.25 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.264 3.7 p30 56.37 -63.94 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 127.713 2.405 . . . . 0.0 115.518 175.088 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -123.63 1.89 8.88 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.129 1.772 . . . . 0.0 111.498 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -123.3 138.42 54.63 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.991 1.317 . . . . 0.0 110.448 179.376 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 4.4 t -96.33 139.85 18.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 125.413 1.485 . . . . 0.0 107.489 171.762 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -111.83 147.06 36.54 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.446 1.021 . . . . 0.0 109.572 176.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -41.66 -61.21 1.13 Allowed 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -169.48 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -61.66 -37.52 84.36 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.238 -0.914 . . . . 0.0 110.593 -172.63 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -67.51 -39.13 85.11 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.753 0.821 . . . . 0.0 110.156 177.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -54.48 -51.22 65.74 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 119.297 -0.382 . . . . 0.0 110.367 169.774 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 30.1 mm -58.09 -51.1 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 118.684 0.675 . . . . 0.0 110.412 178.149 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 46.6 m -50.15 -50.6 48.36 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.674 0.79 . . . . 0.0 110.108 178.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -62.24 -43.87 97.84 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.57 179.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 72.2 mt -57.97 -37.45 74.22 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.446 1.021 . . . . 0.0 110.535 174.206 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.7 -54.69 29.22 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 169.031 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.16 -42.37 76.9 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.918 -0.754 . . . . 0.0 111.74 176.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.79 -46.71 89.42 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.412 1.085 . . . . 0.0 109.617 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -58.65 -42.4 88.28 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 122.966 0.506 . . . . 0.0 110.387 174.857 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 22.3 ttt -62.55 -42.75 99.73 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 122.157 -0.339 . . . . 0.0 111.543 176.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.07 -40.4 83.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 123.8 0.84 . . . . 0.0 109.609 174.366 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -71.97 55.78 0.3 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.36 0.664 . . . . 0.0 110.266 169.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.29 -35.27 69.59 Favored 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 121.13 -0.981 . . . . 0.0 112.028 -169.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -48.72 -39.78 25.98 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.685 0.794 . . . . 0.0 111.647 173.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.28 -51.96 60.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 173.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mt -53.46 -39.09 64.2 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 118.926 -0.559 . . . . 0.0 112.237 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -50.48 -37.46 38.7 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.772 0.714 . . . . 0.0 111.247 176.455 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.132 0 CA-C-O 117.23 -1.872 . . . . 0.0 110.36 174.875 . . . . . . . . 0 0 . 1 stop_ save_