data_5n2o_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 5n2o _Structure_validation_residue.Date_analyzed 2018-02-02 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 ' 9' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 C--O 1.235 0.33 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.3 mt -60.74 -23.09 27.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 123.96 0.904 . . . . 0.0 109.875 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.2 m -48.54 -52.5 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 119.184 0.902 . . . . 0.0 110.836 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.4 t -65.28 -34.74 79.07 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 122.293 1.044 . . . . 0.0 111.494 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -69.23 -38.49 78.54 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 122.876 1.322 . . . . 0.0 110.597 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -72.68 -38.72 67.51 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 120.316 -1.49 . . . . 0.0 108.762 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.0 -50.2 71.53 Favored 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 124.198 0.936 . . . . 0.0 108.5 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -63.25 -47.93 80.37 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.8 mt -61.66 -32.75 72.94 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.347 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.67 4.32 34.42 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 125.286 1.422 . . . . 0.0 109.898 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.6 m -66.78 127.27 31.83 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.8 t -110.66 -85.13 0.55 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.135 0.974 . . . . 0.0 111.266 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 m -52.27 -32.46 37.42 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.898 1.226 . . . . 0.0 113.736 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.3 m -66.56 -30.92 71.34 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.57 -0.706 . . . . 0.0 111.6 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.24 -39.23 65.64 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -58.76 -50.29 74.46 Favored 'General case' 0 CA--C 1.516 -0.339 0 O-C-N 125.05 1.469 . . . . 0.0 108.039 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -58.07 -50.64 72.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -51.65 67.27 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.8 t -66.26 -34.9 79.04 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.549 0.613 . . . . 0.0 110.095 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.6 m -65.61 -43.3 90.04 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -66.67 -27.56 67.76 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.275 0.943 . . . . 0.0 108.904 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.75 21.02 64.56 Favored Glycine 0 C--N 1.342 0.883 0 C-N-CA 124.527 1.061 . . . . 0.0 113.553 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.18 28.77 8.17 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.461 1.905 . . . . 0.0 112.358 -178.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 t -89.08 119.29 29.46 Favored 'General case' 0 CA--C 1.519 -0.217 0 O-C-N 120.234 -1.541 . . . . 0.0 108.647 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.26 148.23 23.12 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 178.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -79.03 -54.22 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 122.039 0.923 . . . . 0.0 112.473 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -62.23 -24.59 67.33 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.639 0.776 . . . . 0.0 111.997 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -75.75 -48.27 22.49 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 118.165 -0.921 . . . . 0.0 109.892 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.6 pt -60.78 -25.15 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 120.385 1.448 . . . . 0.0 111.551 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -69.32 -19.1 63.88 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.23 1.012 . . . . 0.0 110.037 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.94 -22.98 9.83 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.387 1.475 . . . . 0.0 111.087 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -86.46 96.78 10.16 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.11 1.364 . . . . 0.0 108.352 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.56 173.97 3.07 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.592 1.157 . . . . 0.0 111.018 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -49.01 -27.57 3.29 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.591 1.957 . . . . 0.0 114.334 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.5 -43.3 49.8 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.625 0.77 . . . . 0.0 112.701 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -45.07 91.2 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.1 mt -58.72 -44.37 90.4 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.657 1.183 . . . . 0.0 108.368 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.33 94.35 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.5 m -67.0 -16.27 64.26 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.184 0.593 . . . . 0.0 112.146 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.74 7.81 13.93 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.593 1.157 . . . . 0.0 108.829 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? 71.92 27.01 2.83 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 127.452 2.301 . . . . 0.0 110.861 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.2 mm -91.51 117.81 68.02 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.6 148.09 41.57 Favored 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 123.38 2.72 . . . . 0.0 112.2 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -36.39 17.27 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.185 2.194 . . . . 0.0 113.191 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -55.15 -28.17 50.89 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.707 0.803 . . . . 0.0 112.26 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -117.57 -43.96 2.78 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.931 0.892 . . . . 0.0 109.934 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -44.94 -54.99 5.89 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.98 2.112 . . . . 0.0 113.938 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -65.95 -30.01 70.51 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 119.067 -1.053 . . . . 0.0 110.705 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.77 -49.38 59.11 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 119.399 1.0 . . . . 0.0 109.592 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.3 tt -54.7 -50.0 63.66 Favored 'Isoleucine or valine' 0 C--O 1.244 0.768 0 CA-C-N 119.711 1.141 . . . . 0.0 110.048 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -64.79 -46.17 83.18 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 113.953 -1.476 . . . . 0.0 110.303 -178.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -59.57 -42.0 91.45 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 116.906 -1.521 . . . . 0.0 110.583 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.86 -50.74 62.78 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 119.441 1.019 . . . . 0.0 111.754 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.3 tp -69.3 -42.92 81.49 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.98 -32.52 74.09 Favored 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.5 -36.88 71.26 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -65.83 -56.33 12.44 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 123.403 0.681 . . . . 0.0 109.261 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -64.07 -25.41 68.1 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.325 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -76.7 -40.27 49.33 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.307 0.958 . . . . 0.0 110.012 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.8 mt . . . . . 0 C--O 1.236 0.355 0 CA-C-O 117.807 -1.092 . . . . 0.0 113.528 -179.477 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 mm -52.63 -29.72 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 117.617 -1.183 . . . . 0.0 112.756 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.5 m -50.35 -47.79 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 O-C-N 124.126 0.891 . . . . 0.0 110.877 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 t -60.75 -41.39 95.33 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.546 1.138 . . . . 0.0 110.243 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -66.79 -51.83 51.12 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.663 0.785 . . . . 0.0 110.438 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.54 -41.66 97.67 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.754 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.9 -48.69 80.68 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -62.57 -47.32 84.36 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.468 -0.77 . . . . 0.0 111.728 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.89 -31.0 72.03 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.166 0.439 . . . . 0.0 110.778 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.24 21.26 23.08 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 125.113 1.339 . . . . 0.0 110.174 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 39.3 m -60.98 143.64 54.86 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.151 0.975 . . . . 0.0 109.681 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.6 t -110.94 -111.75 0.33 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.463 1.105 . . . . 0.0 109.287 -179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 m -52.15 -21.41 3.28 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.073 1.749 . . . . 0.0 114.952 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 57.1 m -65.14 -30.32 71.24 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.293 -0.879 . . . . 0.0 109.666 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.37 -42.63 87.68 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 178.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -58.02 -44.59 87.4 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 126.573 1.949 . . . . 0.0 109.562 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 -63.14 -51.98 64.34 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -55.13 -50.16 69.97 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.0 t -60.55 -38.5 84.69 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.026 0.83 . . . . 0.0 109.319 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.0 m -63.75 -31.39 72.55 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.332 -0.855 . . . . 0.0 109.707 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -80.78 -24.47 38.58 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 120.901 -1.124 . . . . 0.0 110.314 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.64 39.73 97.87 Favored Glycine 0 C--N 1.342 0.87 0 CA-C-N 119.702 1.137 . . . . 0.0 112.294 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 pp -141.9 34.74 1.57 Allowed 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.779 1.232 . . . . 0.0 111.796 -178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.24 117.52 23.58 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.7 147.78 22.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 mt -79.61 -51.74 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 122.345 1.069 . . . . 0.0 111.762 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -56.0 -23.6 33.79 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 126.462 1.905 . . . . 0.0 111.936 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -86.76 -43.33 12.62 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 117.803 -1.094 . . . . 0.0 110.673 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.8 pt -62.48 -23.48 32.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 120.04 1.291 . . . . 0.0 110.771 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.4 -17.2 63.64 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.544 1.066 . . . . 0.0 110.222 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -114.83 -22.35 9.69 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.642 1.177 . . . . 0.0 113.285 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -76.41 151.66 36.48 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -114.01 175.12 5.61 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 123.778 0.831 . . . . 0.0 110.867 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.5 ptp -49.66 -31.1 10.25 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.55 1.54 . . . . 0.0 113.163 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.62 -41.65 92.44 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 126.35 1.86 . . . . 0.0 111.814 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.68 -43.24 48.37 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.7 mt -55.23 -41.0 71.51 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.35 -46.42 83.55 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.3 t -56.81 -43.41 80.94 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.054 0.942 . . . . 0.0 110.168 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.7 mt -76.55 29.22 0.12 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.691 1.996 . . . . 0.0 112.043 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt 65.27 11.14 7.03 Favored 'General case' 0 N--CA 1.46 0.056 0 C-N-CA 127.738 2.415 . . . . 0.0 116.17 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.3 mt -84.66 104.78 4.98 Favored Pre-proline 0 CA--C 1.549 0.908 0 CA-C-N 120.955 1.707 . . . . 0.0 111.527 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -78.28 159.62 29.59 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.883 2.389 . . . . 0.0 110.815 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -55.85 -27.23 50.55 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -58.3 -23.14 55.44 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.836 0.744 . . . . 0.0 111.918 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -128.21 -32.97 2.2 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.045 1.338 . . . . 0.0 111.907 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -51.63 -38.24 53.81 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 126.026 1.731 . . . . 0.0 111.105 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -64.57 -33.81 76.78 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-O 118.81 -0.614 . . . . 0.0 110.331 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.56 -51.18 59.27 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 119.618 1.099 . . . . 0.0 111.891 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.8 tt -61.2 -53.88 42.85 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 123.48 0.712 . . . . 0.0 109.502 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -59.32 -56.85 16.86 Favored 'General case' 0 N--CA 1.441 -0.894 0 O-C-N 124.353 1.033 . . . . 0.0 110.871 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -57.51 -39.39 76.41 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 118.785 -0.626 . . . . 0.0 110.824 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.89 -50.36 68.4 Favored Glycine 0 CA--C 1.523 0.589 0 CA-C-N 119.407 1.003 . . . . 0.0 112.339 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 5.6 tp -74.15 -39.02 49.64 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.636 0 CA-C-O 119.089 -0.482 . . . . 0.0 111.888 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.46 -32.64 74.15 Favored 'General case' 0 C--O 1.223 -0.299 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -72.33 -40.38 67.48 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -63.55 -56.86 12.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.688 1.195 . . . . 0.0 108.738 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -26.6 68.74 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 118.687 -0.673 . . . . 0.0 110.564 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -78.62 -21.83 47.89 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.249 0.931 . . . . 0.0 110.827 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -178.669 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.9 m . . . . . 0 C--O 1.236 0.392 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.0 mm -52.16 -27.68 10.1 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 C-N-CA 124.58 1.152 . . . . 0.0 114.109 -178.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -53.47 -45.64 58.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 118.345 0.521 . . . . 0.0 110.315 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -74.41 -35.42 63.42 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 124.114 0.966 . . . . 0.0 110.966 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -63.24 -48.51 77.93 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -61.76 -35.83 79.26 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.014 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.38 97.46 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -68.77 -44.25 74.08 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.861 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.98 -39.16 93.87 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.6 11.3 17.54 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 125.673 1.606 . . . . 0.0 112.213 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 t -57.32 159.08 4.91 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.862 1.331 . . . . 0.0 111.864 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.3 t -125.5 -105.45 0.34 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.702 1.201 . . . . 0.0 109.048 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.8 m -52.25 -28.08 17.39 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 116.585 2.069 . . . . 0.0 116.585 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.3 m -72.04 -24.14 61.49 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 120.173 1.351 . . . . 0.0 111.51 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -41.49 67.93 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 177.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.56 -45.99 90.41 Favored 'General case' 0 CA--C 1.515 -0.372 0 O-C-N 123.616 0.572 . . . . 0.0 110.185 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -56.1 -47.61 77.74 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -57.55 -50.71 72.19 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.268 0.485 . . . . 0.0 111.0 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.9 p -61.38 -45.3 94.94 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.264 0.938 . . . . 0.0 111.231 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.5 m -62.96 -28.95 70.44 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.938 1.695 . . . . 0.0 110.301 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -84.95 -23.35 28.83 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.09 0.956 . . . . 0.0 111.824 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.14 40.53 71.71 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.929 1.252 . . . . 0.0 113.071 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.03 23.66 4.2 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.099 1.759 . . . . 0.0 113.167 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.74 118.37 23.86 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 120.964 -1.085 . . . . 0.0 109.123 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.98 146.74 22.03 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 177.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.2 mm -79.13 -55.6 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-O 122.803 1.287 . . . . 0.0 112.065 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -59.25 -20.27 52.74 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 126.441 1.896 . . . . 0.0 113.106 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -85.33 -42.33 14.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 118.566 -0.731 . . . . 0.0 112.616 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.2 pt -62.34 -19.36 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 119.69 1.132 . . . . 0.0 111.058 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -75.98 -12.06 60.07 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 118.985 0.811 . . . . 0.0 112.205 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -114.04 -23.58 9.47 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.803 0.841 . . . . 0.0 110.302 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -79.25 96.12 5.84 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.506 1.122 . . . . 0.0 108.248 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.2 m -67.16 173.98 3.47 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 122.422 1.106 . . . . 0.0 110.734 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 77.4 mtm -55.25 -31.05 61.23 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.393 1.077 . . . . 0.0 113.073 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -61.33 -50.33 73.4 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 118.912 0.778 . . . . 0.0 110.369 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -41.69 88.77 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 122.729 0.412 . . . . 0.0 109.97 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.6 mt -58.92 -51.22 70.99 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.83 -32.13 72.43 Favored 'General case' 0 C--O 1.238 0.474 0 O-C-N 121.223 -0.923 . . . . 0.0 112.081 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.433 ' C ' ' H ' ' A' ' 49' ' ' LYS . 33.5 t -67.81 -39.73 83.93 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.552 1.541 . . . . 0.0 109.748 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.2 mt -70.76 23.85 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 128.394 2.678 . . . . 0.0 113.536 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.433 ' H ' ' C ' ' A' ' 47' ' ' SER . 35.2 mmtm 67.36 10.15 7.52 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 128.839 2.856 . . . . 0.0 112.949 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.2 mm -73.46 122.15 86.91 Favored Pre-proline 0 C--O 1.238 0.481 0 C-N-CA 124.321 1.048 . . . . 0.0 109.431 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.17 147.56 54.18 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 N-CA-C 107.583 -1.737 . . . . 0.0 107.583 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -51.56 -39.66 58.25 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 124.701 1.2 . . . . 0.0 113.996 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -56.41 -53.24 59.72 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.957 1.303 . . . . 0.0 112.234 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -76.38 -43.77 39.18 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.9 ttp85 -48.55 -47.18 39.58 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.32 1.048 . . . . 0.0 111.109 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -61.24 -35.53 77.51 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.351 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.59 -44.45 64.44 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 119.326 0.967 . . . . 0.0 112.219 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.44 -51.65 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 CA-C-N 118.941 0.792 . . . . 0.0 108.969 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -58.24 -44.57 88.34 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.172 -178.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -62.33 -40.64 97.0 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.379 178.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.13 -50.82 63.76 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 119.87 1.214 . . . . 0.0 112.288 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.9 tp -70.43 -41.74 78.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 118.658 -0.687 . . . . 0.0 112.134 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.97 -32.44 72.89 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -71.32 -39.41 71.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.258 0.552 . . . . 0.0 110.015 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -68.32 -52.63 31.31 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.486 1.115 . . . . 0.0 111.047 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -31.1 72.17 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 118.099 -0.953 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -77.27 -30.51 54.35 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 118.361 -1.335 . . . . 0.0 111.402 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.332 -0.156 0 C-N-CA 124.4 1.08 . . . . 0.0 111.242 179.371 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.448 -0.569 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.2 mt -58.33 -22.02 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 125.109 1.364 . . . . 0.0 110.356 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.2 m -48.89 -48.38 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.061 0.846 . . . . 0.0 112.453 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 t -65.05 -41.71 94.94 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 125.135 1.374 . . . . 0.0 109.888 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -61.8 -47.29 85.8 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.7 m-30 -64.09 -36.38 83.84 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.69 1.196 . . . . 0.0 109.679 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.15 -35.44 80.29 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -71.9 -48.84 42.8 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.4 mt -62.96 -36.25 82.83 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.889 0.875 . . . . 0.0 112.612 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.68 15.69 14.58 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 125.757 1.646 . . . . 0.0 110.913 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -81.61 104.46 12.04 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.952 1.376 . . . . 0.0 107.676 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.2 m -84.13 -82.77 0.16 Allowed 'General case' 0 C--O 1.234 0.244 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -23.11 22.95 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.277 1.031 . . . . 0.0 113.681 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.3 m -66.48 -33.93 76.8 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 120.983 -1.073 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 pp -71.19 -35.95 71.76 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -61.43 -45.09 95.77 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 123.965 0.906 . . . . 0.0 109.576 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -59.18 -49.84 76.32 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -59.75 -53.39 58.55 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.403 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.0 p -52.64 -41.11 63.46 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 120.986 1.721 . . . . 0.0 111.463 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.1 m -65.99 -39.31 90.2 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.056 0.844 . . . . 0.0 110.133 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -68.95 -14.58 63.12 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 120.381 1.446 . . . . 0.0 111.321 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.89 31.11 77.22 Favored Glycine 0 C--N 1.342 0.862 0 C-N-CA 124.963 1.268 . . . . 0.0 113.421 178.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 pp -126.92 22.13 6.79 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.806 1.242 . . . . 0.0 113.446 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.89 118.35 24.46 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.67 148.13 22.42 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.4 mt -78.74 -54.96 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 122.134 0.968 . . . . 0.0 111.009 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.85 -25.92 61.34 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 126.772 2.029 . . . . 0.0 112.953 -177.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -79.27 -53.65 6.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 118.3 -0.857 . . . . 0.0 109.703 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.2 pt -60.44 -25.88 35.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-N 119.008 0.822 . . . . 0.0 110.414 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.71 -27.21 69.1 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.03 0.832 . . . . 0.0 110.973 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -111.53 -22.06 11.44 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.017 0.927 . . . . 0.0 113.007 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -77.78 115.62 17.67 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.8 m -70.43 164.97 23.5 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.63 -0.669 . . . . 0.0 109.955 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.0 ptm -54.58 -26.85 34.95 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.34 -45.36 94.76 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 125.687 1.595 . . . . 0.0 109.769 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -42.53 89.01 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 124.723 1.209 . . . . 0.0 109.695 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.6 mp -60.01 -42.71 94.92 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.68 92.08 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.254 -0.904 . . . . 0.0 108.778 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 72.8 m -65.95 -21.12 66.41 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.232 -0.918 . . . . 0.0 110.617 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.2 mt -91.3 19.38 6.04 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.074 1.35 . . . . 0.0 109.824 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt 67.87 13.47 9.19 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 128.586 2.755 . . . . 0.0 114.143 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.1 mm -72.85 120.9 83.38 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.02 138.53 37.2 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.23 2.62 . . . . 0.0 109.763 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.04 -43.99 3.41 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 127.83 2.452 . . . . 0.0 113.733 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -54.46 -49.94 68.87 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 123.91 0.884 . . . . 0.0 111.603 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -87.34 -40.5 14.39 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.24 0.616 . . . . 0.0 111.085 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -48.67 -41.81 32.61 Favored 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 126.357 1.863 . . . . 0.0 110.291 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -62.78 -38.0 88.91 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 118.629 -0.7 . . . . 0.0 111.045 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.22 -45.29 73.71 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 119.474 1.034 . . . . 0.0 111.865 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.8 tt -61.87 -49.85 82.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 O-C-N 121.321 -0.862 . . . . 0.0 109.198 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -61.3 -56.7 17.54 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 124.44 1.088 . . . . 0.0 110.919 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -57.37 -44.99 84.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 118.462 -0.78 . . . . 0.0 110.55 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.39 -50.23 57.33 Favored Glycine 0 C--N 1.335 0.474 0 CA-C-N 118.819 0.736 . . . . 0.0 112.295 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -75.01 -39.8 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-O 118.842 -0.599 . . . . 0.0 112.023 -178.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.89 -34.45 77.98 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 119.734 -0.786 . . . . 0.0 108.939 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.87 -35.32 64.71 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -62.86 -56.85 13.66 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -30.31 71.4 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-O 119.114 -0.469 . . . . 0.0 110.493 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -67.32 -31.69 72.15 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 119.553 -0.859 . . . . 0.0 109.47 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 86.4 mt . . . . . 0 CA--C 1.537 0.46 0 N-CA-C 114.868 1.432 . . . . 0.0 114.868 -178.868 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.7 m . . . . . 0 C--O 1.236 0.382 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.1 mm -49.36 -29.23 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.773 1.629 . . . . 0.0 111.728 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -48.77 -48.88 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 t -67.42 -41.55 84.65 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 122.946 0.498 . . . . 0.0 111.442 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -63.27 -48.27 78.87 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.474 0.71 . . . . 0.0 109.683 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -62.8 -43.93 97.49 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.889 1.276 . . . . 0.0 110.277 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.14 -43.23 82.23 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -63.42 -49.65 72.91 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 118.635 0.652 . . . . 0.0 110.791 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.76 -38.54 88.39 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 117.783 0.265 . . . . 0.0 110.684 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.89 10.42 20.99 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 126.158 1.837 . . . . 0.0 111.079 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.8 m -79.27 102.99 8.89 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 105.144 -2.169 . . . . 0.0 105.144 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.7 t -87.57 -71.89 0.55 Allowed 'General case' 0 CA--C 1.527 0.095 0 CA-C-N 118.839 0.745 . . . . 0.0 112.384 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -52.45 -31.04 32.76 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.49 1.041 . . . . 0.0 112.67 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.4 m -63.28 -31.44 72.59 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 121.598 -0.689 . . . . 0.0 111.311 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.74 -38.83 73.56 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -60.78 -44.23 97.05 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -60.64 -51.69 68.32 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -56.75 -42.78 79.9 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.1 p -71.69 -39.84 69.96 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.691 0.796 . . . . 0.0 111.323 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.0 m -65.25 -40.65 94.28 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -71.73 -14.57 62.05 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.92 -0.488 . . . . 0.0 112.133 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.1 27.39 72.26 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 126.383 1.944 . . . . 0.0 113.878 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 pp -117.1 19.22 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 125.574 1.55 . . . . 0.0 112.996 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.33 115.88 22.72 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.36 148.11 21.34 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 177.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 mm -79.5 -55.45 9.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-O 122.396 1.093 . . . . 0.0 112.136 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -59.62 -18.49 41.96 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 126.697 1.999 . . . . 0.0 113.445 -177.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -85.27 -47.78 9.73 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 118.067 -0.968 . . . . 0.0 109.38 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.7 pt -63.98 -22.65 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 119.823 1.192 . . . . 0.0 111.468 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -63.44 -27.48 69.31 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.413 1.485 . . . . 0.0 109.69 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -114.44 -22.14 10.0 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.662 1.985 . . . . 0.0 113.276 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -76.04 98.83 4.42 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 m -70.81 172.23 9.21 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.641 0.776 . . . . 0.0 109.465 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -48.4 -34.32 10.65 Favored 'General case' 0 C--O 1.227 -0.118 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -177.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.66 -50.22 73.88 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.572 1.149 . . . . 0.0 110.107 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.94 -43.58 78.8 Favored 'General case' 0 CA--C 1.517 -0.312 0 O-C-N 121.749 -0.594 . . . . 0.0 110.822 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 mt -58.35 -48.61 80.01 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.02 97.91 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 119.203 -0.427 . . . . 0.0 110.366 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -63.82 -26.4 68.61 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.266 0.485 . . . . 0.0 111.273 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.5 mt -76.5 10.99 1.78 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.498 1.519 . . . . 0.0 110.59 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? 74.55 3.19 4.24 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 129.385 3.074 . . . . 0.0 113.112 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.8 mm -65.74 115.48 22.94 Favored Pre-proline 0 CA--C 1.533 0.316 0 N-CA-C 103.441 -2.8 . . . . 0.0 103.441 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.86 151.08 68.38 Favored 'Trans proline' 0 N--CA 1.451 -1.01 0 CA-C-N 120.31 1.147 . . . . 0.0 109.882 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -54.58 -35.63 63.52 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.398 1.079 . . . . 0.0 109.984 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -61.01 -14.47 23.3 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.337 2.255 . . . . 0.0 113.214 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -125.92 -38.57 2.18 Favored 'General case' 0 CA--C 1.522 -0.107 0 C-N-CA 125.387 1.475 . . . . 0.0 110.978 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.34 -34.0 45.41 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.5 1.046 . . . . 0.0 110.971 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -63.49 -32.2 73.58 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 119.232 0.924 . . . . 0.0 109.874 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.72 -53.71 30.62 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 119.88 1.218 . . . . 0.0 110.614 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.8 tt -61.04 -53.16 52.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -60.12 -49.87 75.93 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.61 -0.709 . . . . 0.0 112.019 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -61.91 -37.25 83.93 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 119.682 1.128 . . . . 0.0 110.442 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.72 -50.34 68.77 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 119.96 -1.114 . . . . 0.0 110.991 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.6 tp -70.35 -44.79 77.17 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.42 -34.34 73.81 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.02 -39.65 69.03 Favored 'General case' 0 C--O 1.222 -0.354 0 O-C-N 123.395 0.434 . . . . 0.0 109.925 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -66.66 -51.1 59.98 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.393 1.477 . . . . 0.0 110.533 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -28.35 67.12 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -79.29 -24.34 42.96 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.228 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.235 0.341 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 C--O 1.237 0.424 0 N-CA-C 106.708 -1.589 . . . . 0.0 106.708 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.0 mm -61.54 -18.15 18.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 CA-C-O 117.833 -1.079 . . . . 0.0 111.754 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 m -53.51 -51.68 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 119.205 0.912 . . . . 0.0 109.318 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.6 m -60.86 -42.19 97.39 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.147 1.379 . . . . 0.0 110.116 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -62.02 -45.53 93.19 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.534 -0.729 . . . . 0.0 109.518 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.11 -39.9 95.05 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 117.52 -1.229 . . . . 0.0 110.666 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.15 -44.4 87.85 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.5 mtp85 -72.62 -35.22 67.77 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 mt -68.66 -35.37 77.15 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 119.166 -0.445 . . . . 0.0 109.997 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.35 6.38 36.2 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 125.944 1.735 . . . . 0.0 110.348 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 84.4 m -71.47 106.97 4.15 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.3 m -81.0 -100.51 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.627 1.571 . . . . 0.0 111.062 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.9 p -51.63 -26.56 9.19 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.413 1.885 . . . . 0.0 114.585 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 75.9 m -63.73 -32.38 73.85 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 120.833 -1.167 . . . . 0.0 110.683 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.43 -38.27 74.52 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -58.79 -44.67 90.78 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.023 0.929 . . . . 0.0 109.563 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -65.49 -49.7 68.04 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.98 -49.05 72.4 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.283 0.947 . . . . 0.0 112.887 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.9 p -62.24 -47.75 83.01 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.191 0.996 . . . . 0.0 110.159 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 m -65.03 -32.74 74.61 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.377 -0.82 . . . . 0.0 110.252 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -72.85 -26.95 61.65 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.964 1.256 . . . . 0.0 109.788 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.12 36.89 39.17 Favored Glycine 0 C--N 1.338 0.66 0 C-N-CA 124.531 1.063 . . . . 0.0 113.144 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.39 22.37 4.03 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.234 1.414 . . . . 0.0 113.636 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.41 118.07 24.03 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.004 -1.06 . . . . 0.0 108.209 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.93 149.62 23.52 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -78.51 -55.64 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.829 0.823 . . . . 0.0 111.693 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -59.57 -22.61 61.99 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 126.377 1.871 . . . . 0.0 112.918 -176.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -83.87 -52.97 5.93 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 118.675 -0.679 . . . . 0.0 110.638 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.8 pt -62.05 -23.18 30.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 118.728 0.695 . . . . 0.0 110.837 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -64.83 -24.35 67.52 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 118.397 -0.811 . . . . 0.0 109.631 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -114.46 -23.45 9.33 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.582 1.083 . . . . 0.0 112.624 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -71.45 105.54 3.61 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.567 1.547 . . . . 0.0 108.078 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.0 m -67.6 170.53 7.54 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.567 0.698 . . . . 0.0 112.1 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -27.0 21.62 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.597 1.559 . . . . 0.0 112.267 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -64.67 -49.26 71.68 Favored 'General case' 0 N--CA 1.46 0.049 0 C-N-CA 124.859 1.264 . . . . 0.0 108.27 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.22 -45.25 94.17 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 mp -55.67 -47.41 76.76 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.86 -45.62 93.0 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 118.889 -0.577 . . . . 0.0 110.153 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 59.7 p -61.95 -32.53 72.96 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 118.913 0.779 . . . . 0.0 111.805 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.3 mt -75.79 11.78 1.27 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.715 1.606 . . . . 0.0 111.052 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.85 20.24 8.06 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 128.742 2.817 . . . . 0.0 113.351 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.3 mm -77.18 124.51 87.17 Favored Pre-proline 0 CA--C 1.543 0.694 0 CA-C-N 118.668 0.667 . . . . 0.0 109.254 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -66.41 135.35 39.18 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.92 2.413 . . . . 0.0 110.715 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -41.52 -50.49 3.98 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 116.867 2.173 . . . . 0.0 116.867 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -55.31 -42.45 73.72 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.351 1.06 . . . . 0.0 111.4 -177.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -86.18 -44.79 11.91 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.801 -0.618 . . . . 0.0 110.83 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -50.77 -48.15 59.42 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.734 0.814 . . . . 0.0 113.143 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -68.31 -25.32 65.07 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.322 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.39 -47.22 43.79 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 119.875 1.216 . . . . 0.0 110.443 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -62.1 -50.72 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -54.38 -51.96 63.18 Favored 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 124.298 0.999 . . . . 0.0 109.9 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -57.74 -39.89 78.39 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 118.529 -0.748 . . . . 0.0 109.98 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.91 -50.6 65.71 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 119.382 0.992 . . . . 0.0 113.376 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.5 tp -71.45 -40.88 72.87 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-N 118.06 0.93 . . . . 0.0 111.813 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.08 -32.43 72.97 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -73.29 -41.33 63.71 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -61.32 -56.96 14.54 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -23.77 66.09 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.011 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -67.15 -42.9 83.57 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 120.26 1.391 . . . . 0.0 108.702 177.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.9 mt . . . . . 0 C--O 1.234 0.266 0 C-N-CA 123.344 0.658 . . . . 0.0 111.201 -179.1 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.238 0.46 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mm -54.78 -22.18 9.27 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 CA-C-O 117.47 -1.252 . . . . 0.0 112.609 -178.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.2 m -55.43 -43.97 74.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 120.385 1.448 . . . . 0.0 110.394 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 t -68.36 -43.02 78.35 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 123.35 0.66 . . . . 0.0 109.915 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -66.83 -53.18 35.23 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 123.037 0.211 . . . . 0.0 111.473 -177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -58.87 -40.22 83.7 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.779 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.4 89.33 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -63.23 -36.74 84.67 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 118.692 0.678 . . . . 0.0 110.929 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.2 mt -66.2 -30.78 71.3 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.155 0.888 . . . . 0.0 110.117 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.77 16.12 18.34 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 126.055 1.788 . . . . 0.0 110.241 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 79.8 m -76.0 152.48 36.95 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.258 1.029 . . . . 0.0 110.283 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.7 t -123.25 -93.55 0.51 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.068 0.947 . . . . 0.0 109.148 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -52.36 -25.4 9.66 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.044 1.738 . . . . 0.0 114.102 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.2 m -64.33 -43.06 95.83 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 120.878 -1.139 . . . . 0.0 110.129 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.27 -34.06 74.18 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -59.72 -44.17 93.84 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 124.478 1.111 . . . . 0.0 108.87 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -64.62 -46.96 80.37 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.65 -43.56 89.83 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.3 p -67.37 -44.35 79.19 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 m -60.24 -42.19 94.75 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -71.66 -24.43 61.84 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.06 -1.025 . . . . 0.0 111.167 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.87 35.34 65.6 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 124.416 1.008 . . . . 0.0 112.294 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 pp -127.11 26.52 6.06 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.961 1.304 . . . . 0.0 112.508 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.44 115.94 22.81 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.194 -0.942 . . . . 0.0 108.654 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.77 148.28 20.8 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 122.067 -0.396 . . . . 0.0 112.044 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -79.54 -54.1 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.98 0.912 . . . . 0.0 112.039 178.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -60.71 -17.54 48.88 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 124.845 1.258 . . . . 0.0 113.567 -177.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -80.26 -49.98 10.85 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.6 pt -63.11 -24.53 36.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 117.591 -1.195 . . . . 0.0 114.062 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -65.01 -19.28 65.92 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 121.04 1.745 . . . . 0.0 109.359 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -114.26 -22.82 9.75 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.258 1.023 . . . . 0.0 111.828 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -76.5 104.29 6.93 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 107.046 -1.465 . . . . 0.0 107.046 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -75.2 166.91 22.9 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 126.609 1.964 . . . . 0.0 110.436 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.09 -26.99 4.99 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.551 1.54 . . . . 0.0 114.92 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -75.34 -47.57 27.09 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 124.189 0.996 . . . . 0.0 110.544 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.56 -48.98 75.22 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 125.665 1.586 . . . . 0.0 108.208 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.5 mt -56.09 -49.68 73.14 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 124.968 1.307 . . . . 0.0 107.892 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.65 -39.24 93.27 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 121.56 -0.713 . . . . 0.0 111.274 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -27.83 69.49 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.353 0.524 . . . . 0.0 110.402 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.0 mt -77.08 15.02 0.76 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.216 1.006 . . . . 0.0 111.168 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.51 40.24 6.3 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 127.697 2.399 . . . . 0.0 111.851 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.3 mm -100.13 101.55 14.82 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 103.818 -2.66 . . . . 0.0 103.818 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -67.89 150.5 78.39 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.301 2.001 . . . . 0.0 111.249 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -48.8 -40.48 29.23 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.016 1.326 . . . . 0.0 114.439 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -55.16 -17.38 4.17 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.808 1.643 . . . . 0.0 113.421 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -124.61 -44.27 1.98 Allowed 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.844 1.658 . . . . 0.0 109.856 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.4 ttp85 -50.18 -43.86 52.61 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 126.349 1.859 . . . . 0.0 112.299 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -62.67 -32.98 74.14 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 119.103 -0.475 . . . . 0.0 111.481 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.8 -46.32 53.81 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.954 0.901 . . . . 0.0 111.564 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -59.69 -51.46 72.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 119.105 0.866 . . . . 0.0 108.986 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -60.85 -49.29 78.08 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 124.089 0.868 . . . . 0.0 110.803 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -64.05 -36.94 85.65 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 118.402 -0.809 . . . . 0.0 110.963 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.32 -50.36 67.33 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 119.787 1.176 . . . . 0.0 111.2 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.62 -44.8 59.95 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.419 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.89 -32.75 74.08 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.073 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -72.8 -38.06 67.34 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.477 0.581 . . . . 0.0 110.266 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -65.17 -56.61 11.87 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 124.523 1.129 . . . . 0.0 108.378 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -29.96 71.08 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.335 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -73.81 -30.86 62.95 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.286 0.948 . . . . 0.0 111.238 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.5 mt . . . . . 0 C--O 1.235 0.337 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -178.866 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.3 mm -48.04 -31.39 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.344 1.458 . . . . 0.0 111.509 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.5 m -48.96 -48.65 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 O-C-N 123.91 0.756 . . . . 0.0 112.044 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 t -67.32 -38.12 84.41 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.474 0.579 . . . . 0.0 110.952 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -64.27 -48.16 76.78 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.36 -0.837 . . . . 0.0 108.758 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -62.0 -41.0 97.58 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.929 1.692 . . . . 0.0 111.285 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.74 -50.36 73.49 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -59.27 -43.09 92.5 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-O 118.4 -0.81 . . . . 0.0 111.392 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.62 -40.24 96.33 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.956 0.798 . . . . 0.0 110.414 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.37 14.86 7.97 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 126.066 1.794 . . . . 0.0 111.577 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.2 m -62.71 165.87 6.06 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.193 1.497 . . . . 0.0 112.261 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.8 t -129.05 -110.21 0.27 Allowed 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.5 m -52.36 -21.94 4.1 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.238 1.415 . . . . 0.0 114.65 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.8 m -61.33 -34.94 76.08 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.044 -1.035 . . . . 0.0 109.688 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.94 -40.69 87.64 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.85 -49.69 75.25 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 126.778 2.031 . . . . 0.0 110.74 -178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -60.7 -47.97 83.88 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -58.04 -49.95 75.12 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.296 2.9 t -65.04 -45.66 84.5 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.768 1.227 . . . . 0.0 111.518 -177.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.3 m -59.15 -38.84 80.69 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -75.35 -17.47 60.23 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.21 40.96 87.55 Favored Glycine 0 CA--C 1.527 0.807 0 O-C-N 121.149 -0.97 . . . . 0.0 111.518 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pp -129.79 19.07 5.61 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.465 1.106 . . . . 0.0 112.368 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.45 119.09 26.33 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 121.21 -0.931 . . . . 0.0 111.162 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.01 148.06 23.31 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.285 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.4 mm -78.92 -47.86 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 122.43 1.109 . . . . 0.0 109.597 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.07 -26.51 68.87 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.677 1.991 . . . . 0.0 112.816 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -81.24 -42.68 20.35 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 121.865 -0.522 . . . . 0.0 112.162 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.5 pt -60.69 -18.57 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 CA-C-N 118.608 0.64 . . . . 0.0 112.278 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -62.27 -26.36 68.36 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.947 0.794 . . . . 0.0 109.531 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -116.25 -22.16 8.99 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.69 1.196 . . . . 0.0 113.545 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -68.85 110.71 4.5 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.854 1.206 . . . . 0.0 109.193 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 m -77.13 177.87 7.49 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.718 0.77 . . . . 0.0 110.507 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -62.72 -22.87 66.84 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.247 0.619 . . . . 0.0 110.637 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -65.09 -50.22 66.98 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 126.481 1.912 . . . . 0.0 110.335 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.94 -43.36 88.28 Favored 'General case' 0 N--CA 1.461 0.114 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.9 mt -54.55 -51.82 63.99 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.62 -40.87 84.54 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.258 0.623 . . . . 0.0 110.871 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.89 -32.57 73.86 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 122.581 0.352 . . . . 0.0 110.392 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.6 mt -82.57 35.28 0.45 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.874 1.269 . . . . 0.0 111.526 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 tptp 63.78 2.46 1.32 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.111 2.164 . . . . 0.0 116.841 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.9 mm -67.69 122.89 85.37 Favored Pre-proline 0 CA--C 1.539 0.547 0 C-N-CA 124.38 1.072 . . . . 0.0 109.958 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -73.37 141.24 31.54 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.729 2.286 . . . . 0.0 106.26 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -57.35 -29.86 64.35 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 119.455 1.025 . . . . 0.0 113.188 -178.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -55.42 -30.31 60.23 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.778 1.231 . . . . 0.0 111.825 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -109.94 -31.14 7.5 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.211 1.404 . . . . 0.0 109.739 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -54.7 -34.97 63.11 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 120.572 1.533 . . . . 0.0 108.175 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -63.82 -28.55 69.94 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 123.871 0.868 . . . . 0.0 110.895 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.57 -56.73 5.83 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 120.351 1.432 . . . . 0.0 109.517 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.7 tt -60.1 -53.9 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 119.637 -0.22 . . . . 0.0 110.606 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -53.01 63.08 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 123.677 0.61 . . . . 0.0 111.505 -177.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -58.7 -38.46 78.32 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 119.463 1.029 . . . . 0.0 109.712 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.94 -50.27 69.48 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 119.64 1.109 . . . . 0.0 112.06 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -42.6 55.25 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 CA-C-O 118.564 -0.731 . . . . 0.0 112.143 -178.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.53 -33.74 74.33 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.59 -35.13 65.36 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -67.4 -57.12 7.16 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 123.094 0.558 . . . . 0.0 109.57 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -29.17 70.44 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.316 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -73.54 -41.46 62.96 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.897 1.226 . . . . 0.0 110.816 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.2 mt . . . . . 0 C--O 1.235 0.318 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -178.32 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.237 0.427 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.0 mm -58.58 -24.8 26.44 Favored 'Isoleucine or valine' 0 C--N 1.346 0.437 0 CA-C-O 117.337 -1.316 . . . . 0.0 111.592 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -50.45 -41.52 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 120.572 1.533 . . . . 0.0 111.049 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.0 t -73.07 -37.63 66.74 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -63.6 -49.87 71.64 Favored 'General case' 0 C--N 1.339 0.132 0 O-C-N 121.006 -1.059 . . . . 0.0 109.73 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.7 m-30 -61.12 -40.44 93.78 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 118.424 -0.798 . . . . 0.0 109.78 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.87 -47.79 84.77 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -64.26 -34.07 77.27 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 124.213 1.005 . . . . 0.0 112.532 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.5 mt -70.71 -50.94 30.94 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 178.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.08 -5.23 8.95 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 127.677 2.56 . . . . 0.0 111.493 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.2 m -60.8 104.4 0.35 Allowed 'General case' 0 C--N 1.342 0.262 0 C-N-CA 125.921 1.688 . . . . 0.0 110.603 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.54 -93.17 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.748 1.219 . . . . 0.0 113.364 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.4 m -56.22 -18.15 9.5 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 114.622 1.342 . . . . 0.0 114.622 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.2 m -62.97 -33.3 75.1 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.714 1.143 . . . . 0.0 109.669 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -38.06 75.97 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -58.67 -47.69 83.64 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 124.259 1.023 . . . . 0.0 109.462 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -61.97 -51.08 69.51 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -58.3 -45.42 88.01 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.6 t -67.19 -34.55 77.74 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.6 m -69.18 -25.21 64.23 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.524 -1.36 . . . . 0.0 110.405 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -87.57 -23.51 24.31 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.5 1.12 . . . . 0.0 111.082 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.5 39.89 86.74 Favored Glycine 0 C--N 1.342 0.915 0 C-N-CA 124.759 1.171 . . . . 0.0 113.633 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.45 29.08 1.79 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.803 1.641 . . . . 0.0 112.27 -178.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 t -88.04 118.17 27.41 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 120.873 -1.142 . . . . 0.0 110.643 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -158.54 149.8 20.76 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.017 -1.052 . . . . 0.0 111.849 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -79.08 -48.66 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 124.475 1.11 . . . . 0.0 110.822 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -60.25 -28.62 68.18 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 125.321 1.448 . . . . 0.0 112.062 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -76.37 -49.66 16.24 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.248 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.7 pt -63.01 -19.9 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 119.027 0.83 . . . . 0.0 112.65 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.44 -25.83 68.18 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -115.05 -24.15 8.71 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.654 1.182 . . . . 0.0 113.316 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -74.73 97.16 3.18 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.2 m -64.36 167.76 6.47 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.144 0.978 . . . . 0.0 111.294 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -53.94 -24.28 15.89 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -74.66 -40.16 61.6 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.659 1.183 . . . . 0.0 109.888 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.69 -42.65 77.52 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 178.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.6 mt -56.05 -51.45 67.77 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.66 -41.29 76.99 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.748 0.704 . . . . 0.0 111.215 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.1 t -58.74 -34.69 71.66 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.938 0.895 . . . . 0.0 111.713 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.5 mt -75.3 27.83 0.1 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.687 1.995 . . . . 0.0 114.509 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.44 33.56 13.59 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.643 1.577 . . . . 0.0 112.469 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 33.3 mm -101.19 133.94 20.65 Favored Pre-proline 0 CA--C 1.538 0.508 0 C-N-CA 125.073 1.349 . . . . 0.0 111.465 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -75.68 157.01 40.11 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.676 2.251 . . . . 0.0 107.966 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.3 -36.94 85.63 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 115.335 1.605 . . . . 0.0 115.335 -177.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -59.93 -53.09 61.98 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.575 1.079 . . . . 0.0 111.29 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -67.69 -42.9 81.34 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.09 -47.41 61.88 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 118.867 0.758 . . . . 0.0 109.302 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -63.26 -32.73 74.21 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 116.814 -1.565 . . . . 0.0 111.041 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.55 -52.57 44.19 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 120.748 1.613 . . . . 0.0 110.713 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.16 -53.02 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 O-C-N 122.033 -0.417 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -43.06 85.92 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 123.561 0.538 . . . . 0.0 110.523 -178.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -62.17 -40.67 96.8 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-O 117.96 -1.019 . . . . 0.0 108.882 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.25 -51.32 57.4 Favored Glycine 0 C--O 1.226 -0.398 0 CA-C-N 119.22 0.918 . . . . 0.0 113.115 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.8 tp -66.29 -44.87 90.92 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.505 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.3 -31.34 71.93 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -73.95 -37.51 64.52 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.751 0.421 . . . . 0.0 110.209 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -65.9 -57.41 7.94 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.22 1.408 . . . . 0.0 107.207 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.54 -27.53 69.03 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 118.352 -0.832 . . . . 0.0 111.514 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -75.31 -31.05 60.53 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 120.515 1.507 . . . . 0.0 110.161 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.9 mt . . . . . 0 C--O 1.236 0.368 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -178.025 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 C--O 1.237 0.426 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.3 mt -50.29 -29.55 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.94 1.296 . . . . 0.0 111.328 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 m -50.83 -46.13 28.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 118.053 0.388 . . . . 0.0 110.935 178.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.5 t -66.23 -43.37 86.79 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.555 1.142 . . . . 0.0 109.457 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -59.5 -45.86 90.48 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -63.78 -44.81 92.3 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 117.658 -1.163 . . . . 0.0 110.901 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.65 -33.53 70.2 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.457 1.026 . . . . 0.0 110.321 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -71.25 -50.45 32.69 Favored 'General case' 0 C--O 1.232 0.144 0 O-C-N 121.009 -1.057 . . . . 0.0 108.843 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.6 mt -63.04 -34.85 78.45 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.478 0.711 . . . . 0.0 112.647 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.05 19.52 10.07 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 125.817 1.675 . . . . 0.0 109.661 -178.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 t -86.55 138.93 31.32 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 118.613 1.207 . . . . 0.0 109.989 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.83 -65.35 1.13 Allowed 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 125.102 1.361 . . . . 0.0 113.054 -178.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.33 -38.64 59.16 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -178.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -33.19 71.48 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 119.15 -1.02 . . . . 0.0 111.282 -178.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.0 -44.28 97.06 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.84 -42.32 97.55 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 123.787 0.679 . . . . 0.0 110.995 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -63.43 -54.45 36.32 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -55.91 -43.88 77.73 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.755 1.222 . . . . 0.0 113.832 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.5 p -68.91 -41.67 77.88 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.738 0.699 . . . . 0.0 110.503 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -33.92 76.93 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.281 0.946 . . . . 0.0 109.703 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -76.11 -18.32 59.21 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.702 0.683 . . . . 0.0 112.823 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.46 36.7 91.9 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 123.603 0.62 . . . . 0.0 112.733 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 pp -134.15 24.97 3.88 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.427 1.091 . . . . 0.0 112.974 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.05 119.07 25.03 Favored 'General case' 0 CA--C 1.519 -0.224 0 O-C-N 120.844 -1.16 . . . . 0.0 109.779 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.84 147.3 21.38 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.2 mm -79.09 -46.93 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 125.058 1.343 . . . . 0.0 109.975 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -58.59 -28.88 65.98 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.575 1.55 . . . . 0.0 110.943 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -82.68 -45.33 14.61 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.365 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.5 pt -60.87 -20.0 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-N 120.344 1.429 . . . . 0.0 111.478 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -60.81 -33.82 73.59 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.076 0.951 . . . . 0.0 108.693 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -113.15 -22.34 10.56 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 117.445 -1.264 . . . . 0.0 113.279 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -62.3 109.58 1.38 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 120.178 1.354 . . . . 0.0 109.516 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 m -74.25 173.31 10.36 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 122.145 0.974 . . . . 0.0 111.902 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.7 mmt -53.92 -36.97 63.32 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.224 1.41 . . . . 0.0 113.338 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.66 -43.04 97.9 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.457 0.703 . . . . 0.0 112.467 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -45.29 70.58 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.4 mt -57.1 -43.54 82.34 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.9 92.93 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.906 -0.496 . . . . 0.0 110.74 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -63.58 -31.38 72.52 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.358 0.663 . . . . 0.0 109.395 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.97 23.09 0.14 Allowed 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.742 -1.223 . . . . 0.0 110.684 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? 68.25 22.67 8.05 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.544 1.938 . . . . 0.0 112.29 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.5 mt -96.52 106.93 32.99 Favored Pre-proline 0 CA--C 1.548 0.896 0 O-C-N 120.5 -1.375 . . . . 0.0 109.446 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.84 147.4 74.81 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.331 2.688 . . . . 0.0 110.153 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -42.34 -45.15 4.17 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.349 1.86 . . . . 0.0 114.3 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -55.18 -35.82 65.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.963 1.305 . . . . 0.0 113.283 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -105.35 -31.27 9.13 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.982 0.513 . . . . 0.0 110.046 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -57.16 -40.13 76.63 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.049 -1.657 . . . . 0.0 108.506 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -66.47 -25.91 66.94 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.379 -0.826 . . . . 0.0 109.17 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.61 -56.45 8.19 Favored 'General case' 0 C--N 1.341 0.207 0 O-C-N 120.37 -1.456 . . . . 0.0 109.329 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.4 tt -56.07 -51.13 65.42 Favored 'Isoleucine or valine' 0 C--N 1.342 0.275 0 CA-C-N 118.824 0.738 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.62 -51.55 68.02 Favored 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 124.007 0.817 . . . . 0.0 110.82 -177.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -43.29 80.78 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 119.857 1.208 . . . . 0.0 109.403 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.37 -50.79 63.27 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-N 118.16 0.436 . . . . 0.0 113.196 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.5 tp -71.98 -37.33 60.49 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 118.935 -0.555 . . . . 0.0 111.845 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.32 -32.63 73.42 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.84 -38.24 70.15 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -63.91 -56.83 12.36 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 124.339 1.055 . . . . 0.0 109.058 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.12 -25.41 67.76 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 117.709 -1.139 . . . . 0.0 110.811 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -81.07 -23.09 38.72 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 120.224 1.374 . . . . 0.0 110.841 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.7 mt . . . . . 0 C--O 1.235 0.29 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -179.185 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.238 0.481 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.4 mm -50.17 -25.89 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 117.94 -1.029 . . . . 0.0 112.033 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.1 m -54.01 -51.57 44.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 119.125 0.875 . . . . 0.0 110.394 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.6 m -63.17 -42.79 99.46 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 124.357 1.063 . . . . 0.0 110.445 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -62.67 -47.03 85.43 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 121.069 0.461 . . . . 0.0 110.06 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -66.83 -36.75 83.07 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.372 1.069 . . . . 0.0 110.446 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.14 -41.96 84.86 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -70.74 -40.23 72.84 Favored 'General case' 0 C--N 1.345 0.409 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.6 mt -69.94 -25.29 63.59 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.548 0.739 . . . . 0.0 112.603 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.61 7.86 57.63 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 126.675 2.083 . . . . 0.0 110.033 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.4 m -70.12 111.08 5.52 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 117.659 0.73 . . . . 0.0 110.559 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.9 m -87.93 -92.09 0.11 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.006 1.722 . . . . 0.0 112.007 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 m -52.45 -29.72 26.06 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 120.386 1.448 . . . . 0.0 113.615 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.5 m -63.47 -33.47 75.65 Favored 'General case' 0 N--CA 1.444 -0.773 0 O-C-N 120.974 -1.079 . . . . 0.0 111.719 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.38 -40.98 77.08 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -57.19 -51.15 70.47 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.708 1.203 . . . . 0.0 108.908 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -55.49 -53.65 53.65 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -56.65 -44.56 81.43 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.3 p -56.96 -50.32 72.98 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 118.604 -0.712 . . . . 0.0 110.149 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.3 m -63.53 -37.89 89.03 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.273 1.029 . . . . 0.0 111.112 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -66.56 -20.68 66.07 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.7 39.68 95.42 Favored Glycine 0 C--N 1.339 0.706 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 pp -138.9 26.88 2.45 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.33 117.95 23.91 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.12 148.85 22.42 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 177.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.2 mm -78.95 -56.01 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 124.017 0.927 . . . . 0.0 112.933 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -65.31 -13.03 57.54 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 124.937 1.295 . . . . 0.0 114.104 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -85.67 -49.52 7.91 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 117.839 -1.077 . . . . 0.0 108.368 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.4 pt -61.73 -22.15 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 119.922 1.237 . . . . 0.0 110.8 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.8 -25.45 67.24 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.234 1.414 . . . . 0.0 109.79 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -113.03 -22.3 10.64 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.542 1.537 . . . . 0.0 111.73 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -78.27 94.32 4.78 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 m -67.82 -177.31 0.78 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.482 1.513 . . . . 0.0 110.827 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -46.77 40.11 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.165 1.386 . . . . 0.0 112.998 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -63.88 -35.54 80.99 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 118.899 -0.572 . . . . 0.0 112.48 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.87 -43.86 64.76 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 120.059 1.3 . . . . 0.0 109.723 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.8 mp -62.43 -44.99 95.11 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.49 -44.22 97.48 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.5 t -63.83 -24.7 67.85 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.386 1.074 . . . . 0.0 110.311 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.7 mt -80.99 12.97 2.94 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 119.917 -1.739 . . . . 0.0 109.775 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.18 12.74 8.89 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 128.73 2.812 . . . . 0.0 112.157 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.3 mm -76.35 122.44 86.74 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 123.751 0.82 . . . . 0.0 108.867 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.0 152.28 45.92 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.242 2.628 . . . . 0.0 109.432 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -30.66 68.77 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.208 -0.932 . . . . 0.0 113.033 -179.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -60.4 -13.41 13.2 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.804 1.642 . . . . 0.0 113.346 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -131.45 -39.66 1.14 Allowed 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.699 1.199 . . . . 0.0 110.38 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -33.7 61.06 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 119.844 1.202 . . . . 0.0 109.714 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -62.83 -39.37 94.13 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 119.033 -0.508 . . . . 0.0 111.213 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.76 -51.03 53.81 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 118.948 -0.548 . . . . 0.0 112.424 -177.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.2 tt -57.29 -51.01 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 O-C-N 123.776 0.673 . . . . 0.0 109.687 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -67.38 -53.16 31.75 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -56.21 -41.84 76.26 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 123.412 0.685 . . . . 0.0 109.37 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.97 -48.22 87.38 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 124.088 0.851 . . . . 0.0 112.299 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.3 tp -70.16 -44.36 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.74 0 CA-C-N 118.492 1.146 . . . . 0.0 110.313 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.13 -32.21 72.77 Favored 'General case' 0 C--O 1.219 -0.521 0 O-C-N 124.137 0.898 . . . . 0.0 109.156 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -71.63 -45.6 61.57 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -59.53 -56.44 21.88 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.973 1.709 . . . . 0.0 109.652 -178.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -31.51 72.77 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -77.26 -12.27 59.93 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 118.974 0.806 . . . . 0.0 110.831 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.9 mt . . . . . 0 CA--C 1.534 0.348 0 C-N-CA 125.127 1.371 . . . . 0.0 113.436 178.865 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.0 t . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.4 mt -52.81 -20.59 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 126.235 1.814 . . . . 0.0 112.063 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.5 m -50.07 -47.41 24.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 118.614 0.643 . . . . 0.0 111.555 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 t -71.81 -37.51 70.35 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -63.94 -49.59 71.98 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 121.359 0.599 . . . . 0.0 109.579 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -62.19 -40.73 97.04 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.403 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.82 -35.58 76.89 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 124.021 0.826 . . . . 0.0 109.555 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -76.8 -34.05 57.97 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.005 -1.06 . . . . 0.0 111.769 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.9 mt -71.05 -51.77 23.38 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.75 0.23 2.05 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.098 1.333 . . . . 0.0 112.258 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 159.88 23.71 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 119.638 1.719 . . . . 0.0 111.918 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.5 p -140.82 -87.11 0.18 Allowed 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.94 0.896 . . . . 0.0 109.505 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -54.14 -31.25 51.88 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.314 0.961 . . . . 0.0 112.483 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.5 m -69.01 -27.91 66.11 Favored 'General case' 0 C--N 1.341 0.221 0 O-C-N 120.928 -1.107 . . . . 0.0 111.796 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.06 -41.68 70.4 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 178.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -60.1 -34.72 73.88 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.082 1.353 . . . . 0.0 110.445 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -69.43 -53.93 16.89 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.49 -42.78 71.14 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 125.234 1.414 . . . . 0.0 113.522 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.7 p -67.48 -52.53 38.13 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.338 1.055 . . . . 0.0 109.592 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.8 m -63.99 -25.24 68.04 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 118.994 -0.527 . . . . 0.0 112.226 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -81.03 -7.06 59.48 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.059 0.944 . . . . 0.0 111.233 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 57.38 33.53 66.14 Favored Glycine 0 C--N 1.336 0.549 0 C-N-CA 126.612 2.053 . . . . 0.0 112.969 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 pp -128.26 20.63 6.27 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.678 1.191 . . . . 0.0 113.479 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -87.21 116.64 25.43 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 121.473 -0.767 . . . . 0.0 110.815 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -156.32 148.02 22.82 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.1 mm -79.3 -53.06 14.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 123.001 1.381 . . . . 0.0 110.783 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -57.21 -30.23 64.39 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 127.315 2.246 . . . . 0.0 111.809 -177.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -80.18 -47.96 13.89 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 117.948 -1.025 . . . . 0.0 109.688 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.8 pt -60.58 -31.3 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 120.426 1.466 . . . . 0.0 110.441 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -57.54 -39.76 77.32 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -94.25 -23.18 17.97 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -76.78 107.41 9.08 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.306 0.957 . . . . 0.0 109.004 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -69.57 172.76 6.87 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.079 0.466 . . . . 0.0 110.305 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.5 mtp -52.28 -37.04 54.42 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -67.44 -34.64 77.61 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.2 -36.37 82.9 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.0 mt -64.34 -41.2 96.9 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.68 92.66 Favored 'General case' 0 C--N 1.34 0.174 0 O-C-N 121.741 -0.599 . . . . 0.0 109.539 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.428 ' C ' ' H ' ' A' ' 49' ' ' LYS . 3.9 t -59.7 -39.98 86.39 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.9 mt -69.94 13.4 0.15 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.315 0.646 . . . . 0.0 111.757 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 47' ' ' SER . 44.7 mmtm 69.73 9.57 7.23 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 129.519 3.128 . . . . 0.0 113.53 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.6 mm -65.07 124.48 86.89 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 123.95 0.9 . . . . 0.0 110.665 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.85 135.79 36.49 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.853 2.369 . . . . 0.0 108.711 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.21 -29.84 15.42 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -178.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -52.42 63.61 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.391 0.996 . . . . 0.0 109.919 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -84.62 -43.49 14.38 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.222 1.009 . . . . 0.0 110.78 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -40.49 68.77 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 119.962 1.255 . . . . 0.0 111.326 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -68.26 -26.2 65.56 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.798 -0.564 . . . . 0.0 109.941 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.56 -49.83 24.38 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 120.385 -1.447 . . . . 0.0 110.646 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.68 -51.17 76.22 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -56.16 -52.65 63.6 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 124.559 1.162 . . . . 0.0 110.05 -178.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -54.08 -42.85 69.8 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.861 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.19 -50.79 61.75 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 118.6 0.636 . . . . 0.0 114.293 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.0 tp -71.09 -40.27 75.26 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.569 0 O-C-N 121.196 -1.179 . . . . 0.0 111.84 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.39 -33.8 74.28 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.45 -32.11 64.17 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.395 1.878 . . . . 0.0 111.43 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -66.51 -54.16 26.93 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.401 ' HG2' ' N ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -70.8 -35.48 72.57 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 118.861 -1.136 . . . . 0.0 110.292 179.763 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.401 ' N ' ' HG2' ' A' ' 66' ' ' ARG . 22.9 tt0 -56.72 -34.23 67.29 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.664 0.603 . . . . 0.0 110.53 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 116.794 -1.574 . . . . 0.0 113.636 179.704 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 C--O 1.239 0.521 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -51.8 -28.19 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 117.388 -1.291 . . . . 0.0 112.721 -179.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 m -51.43 -46.75 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 119.259 0.936 . . . . 0.0 110.93 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 t -62.66 -45.47 92.64 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 123.635 0.774 . . . . 0.0 109.292 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -66.4 -43.66 85.21 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.735 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -63.55 -39.95 95.74 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 120.937 -1.102 . . . . 0.0 111.37 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.29 98.56 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -65.19 -38.11 89.45 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-O 118.818 -0.611 . . . . 0.0 111.104 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.2 mt -65.83 -34.16 77.52 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.779 0.718 . . . . 0.0 109.603 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.81 18.03 33.59 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 125.635 1.588 . . . . 0.0 109.173 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . 0.261 31.4 p -75.72 160.66 29.81 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 118.957 1.378 . . . . 0.0 110.845 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -124.57 -87.69 0.61 Allowed 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.907 -178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.5 p -52.38 -28.62 20.38 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 120.397 1.453 . . . . 0.0 113.22 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.9 m -64.28 -41.42 96.9 Favored 'General case' 0 N--CA 1.442 -0.861 0 O-C-N 121.57 -0.706 . . . . 0.0 110.614 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.06 -37.53 81.4 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 117.082 -1.437 . . . . 0.0 108.671 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -61.73 -51.06 69.91 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 125.411 1.484 . . . . 0.0 110.194 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -59.36 -47.52 85.1 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -55.94 -52.82 62.79 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.8 t -64.47 -39.25 93.45 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 118.794 0.725 . . . . 0.0 110.988 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.6 m -64.11 -29.48 70.6 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 118.78 0.718 . . . . 0.0 109.931 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -84.62 -26.43 27.88 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.88 -1.137 . . . . 0.0 111.449 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.9 38.98 75.6 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 124.73 1.157 . . . . 0.0 112.72 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.25 26.3 5.44 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.64 1.576 . . . . 0.0 111.749 -179.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.8 119.03 24.84 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.52 147.53 22.05 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 177.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.3 mm -79.27 -52.54 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-O 122.782 1.277 . . . . 0.0 109.897 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -56.21 -30.55 62.46 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 126.536 1.934 . . . . 0.0 112.451 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -74.05 -50.29 20.37 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 117.798 -1.096 . . . . 0.0 110.853 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.8 pt -62.47 -19.62 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 119.921 1.237 . . . . 0.0 112.943 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.96 -23.04 65.01 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -114.31 -23.56 9.35 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.839 1.255 . . . . 0.0 112.159 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -81.51 90.75 6.26 Favored 'General case' 0 C--N 1.34 0.176 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 178.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.0 m -70.58 176.79 3.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.631 0.772 . . . . 0.0 110.283 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.3 ptp -48.84 -27.19 2.85 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -69.66 -50.51 43.35 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 119.501 1.046 . . . . 0.0 111.159 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.56 -41.76 92.57 Favored 'General case' 0 CA--C 1.517 -0.292 0 O-C-N 121.499 -0.751 . . . . 0.0 109.367 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.19 -38.72 84.11 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.18 -50.73 71.95 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 t -59.01 -24.8 63.11 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 124.583 1.153 . . . . 0.0 112.233 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.2 mt -81.65 20.08 0.97 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.303 1.041 . . . . 0.0 111.401 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.44 23.94 14.13 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 127.669 2.388 . . . . 0.0 112.337 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.4 mm -84.7 115.58 61.36 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.42 149.06 62.1 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.984 1.789 . . . . 0.0 109.224 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -56.38 -30.65 62.97 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -55.48 -20.37 12.54 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 128.196 2.598 . . . . 0.0 112.214 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -126.0 -44.26 1.78 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.609 1.563 . . . . 0.0 108.711 178.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -47.3 -51.67 18.51 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.413 1.485 . . . . 0.0 112.79 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.94 -32.67 73.11 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.764 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.89 -52.36 44.23 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 119.809 1.186 . . . . 0.0 111.654 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -53.48 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.72 -45.72 81.71 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.051 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -58.82 -40.39 84.01 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.36 -50.9 62.15 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 124.267 0.936 . . . . 0.0 113.001 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.4 tt -73.69 -42.96 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.719 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.307 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.22 -32.51 68.37 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -73.72 -38.41 64.81 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.28 1.432 . . . . 0.0 111.026 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -67.84 -56.87 7.49 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -33.22 74.09 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 118.111 -0.947 . . . . 0.0 109.739 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -69.79 -34.1 73.27 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.993 1.27 . . . . 0.0 110.419 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.2 mt . . . . . 0 CA--C 1.533 0.29 0 C-N-CA 123.412 0.685 . . . . 0.0 112.753 -179.592 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 CA--C 1.542 0.663 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.9 mt -60.33 -21.48 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 124.915 1.286 . . . . 0.0 109.569 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.3 m -49.52 -48.33 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 119.318 0.963 . . . . 0.0 112.172 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.2 t -67.14 -38.59 85.77 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -62.34 -43.8 97.99 Favored 'General case' 0 C--N 1.342 0.257 0 O-C-N 121.546 -0.721 . . . . 0.0 109.246 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -62.86 -36.0 81.84 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 117.521 -1.228 . . . . 0.0 109.874 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.68 91.1 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -74.68 -36.23 62.79 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.811 -0.556 . . . . 0.0 111.549 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.4 mt -70.54 -41.47 72.46 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 121.717 -0.614 . . . . 0.0 111.14 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.2 5.62 21.22 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.982 1.753 . . . . 0.0 110.845 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.9 m -66.52 140.95 58.02 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.157 1.479 . . . . 0.0 108.283 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.4 p -118.9 -83.06 0.65 Allowed 'General case' 0 C--O 1.232 0.159 0 C-N-CA 123.551 0.74 . . . . 0.0 111.611 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.88 -27.78 60.97 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.105 1.362 . . . . 0.0 112.855 -179.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.1 m -71.58 -28.19 63.66 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 118.264 -0.874 . . . . 0.0 112.429 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.6 -41.5 79.48 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -59.64 -44.58 93.45 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.093 1.757 . . . . 0.0 108.962 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -59.53 -51.38 70.08 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -58.39 -50.24 74.39 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.766 1.226 . . . . 0.0 113.5 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.0 p -60.89 -39.71 90.31 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 118.903 0.774 . . . . 0.0 109.578 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.8 m -65.6 -36.79 84.76 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.926 -0.484 . . . . 0.0 109.828 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -75.39 -18.57 59.9 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.02 0.827 . . . . 0.0 112.761 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.43 37.8 86.17 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 123.944 0.783 . . . . 0.0 112.995 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.57 20.72 3.34 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -178.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.5 119.39 25.8 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 119.716 1.144 . . . . 0.0 109.349 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.94 147.06 22.37 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 mt -79.33 -54.37 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 123.512 1.625 . . . . 0.0 111.83 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -59.96 -16.77 32.88 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 127.513 2.325 . . . . 0.0 113.681 -177.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -90.39 -50.33 6.02 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 118.195 -0.907 . . . . 0.0 109.574 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.2 pt -60.72 -26.48 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 119.062 0.846 . . . . 0.0 111.631 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -57.49 -28.13 63.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.624 0.77 . . . . 0.0 110.41 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -114.7 -22.12 9.87 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.282 1.033 . . . . 0.0 112.945 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -73.9 105.83 5.34 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 120.05 1.295 . . . . 0.0 108.705 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 m -71.29 176.5 4.52 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.001 1.72 . . . . 0.0 113.048 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.2 mmt -55.67 -33.41 64.08 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.256 -0.902 . . . . 0.0 112.431 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -46.75 88.51 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 124.218 1.007 . . . . 0.0 109.791 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.51 -41.51 96.36 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 mt -61.97 -44.32 97.0 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.59 96.0 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.1 t -64.44 -38.24 90.34 Favored 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 122.309 -0.244 . . . . 0.0 110.517 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 mt -74.9 20.98 0.12 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.949 1.7 . . . . 0.0 111.931 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.1 tptm 66.15 9.68 6.48 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 126.727 2.011 . . . . 0.0 113.547 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.6 mm -75.5 120.25 80.81 Favored Pre-proline 0 CA--C 1.544 0.745 0 CA-C-N 119.644 1.111 . . . . 0.0 109.726 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -70.57 144.11 48.83 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.763 2.308 . . . . 0.0 109.724 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -51.12 -39.03 55.3 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.975 0.91 . . . . 0.0 113.353 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -55.09 -25.94 34.7 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.826 2.051 . . . . 0.0 113.205 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -119.46 -40.34 2.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.9 0.88 . . . . 0.0 110.69 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -52.86 -38.45 61.53 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 119.736 1.153 . . . . 0.0 110.338 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -62.87 -32.5 73.76 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 118.608 -0.711 . . . . 0.0 110.526 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.33 -51.0 33.38 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 120.013 1.279 . . . . 0.0 110.915 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.9 tt -61.39 -52.9 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -58.17 -55.32 36.52 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 124.067 0.854 . . . . 0.0 112.283 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -55.81 -39.02 70.74 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.276 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.75 -50.88 62.91 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 124.069 0.842 . . . . 0.0 112.754 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.9 tp -68.29 -43.09 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-N 118.127 0.964 . . . . 0.0 110.492 -178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -59.59 -34.07 72.27 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.394 0.616 . . . . 0.0 109.556 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -73.64 -31.33 63.45 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 126.096 1.758 . . . . 0.0 111.03 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -67.71 -54.54 18.55 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -31.22 69.62 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 116.85 -1.94 . . . . 0.0 110.764 178.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -54.4 -47.69 72.46 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.448 -0.564 0 CA-C-O 118.355 -0.831 . . . . 0.0 111.497 178.721 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.7 m . . . . . 0 C--O 1.238 0.471 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -52.27 -31.44 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 119.421 1.01 . . . . 0.0 112.731 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 m -52.46 -49.25 44.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 124.095 0.872 . . . . 0.0 110.634 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.6 m -64.73 -41.74 95.72 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.354 0.662 . . . . 0.0 110.14 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -64.37 -43.99 92.76 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.585 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -63.79 -37.18 86.4 Favored 'General case' 0 C--O 1.238 0.488 0 O-C-N 120.748 -1.22 . . . . 0.0 111.066 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.62 90.76 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -61.48 -40.07 93.22 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.639 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.68 -42.56 99.69 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.692 1.133 . . . . 0.0 109.898 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.88 21.81 10.76 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 125.992 1.758 . . . . 0.0 110.073 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 p -77.25 172.22 13.61 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.021 1.41 . . . . 0.0 111.606 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.9 p -135.12 -87.05 0.37 Allowed 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 124.02 0.928 . . . . 0.0 109.199 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 p -52.97 -29.09 26.91 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.132 1.373 . . . . 0.0 112.381 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.0 m -67.44 -38.38 84.42 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 121.343 -0.848 . . . . 0.0 110.673 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.46 -38.01 77.56 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 117.682 -1.151 . . . . 0.0 108.715 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.5 -50.67 73.01 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 126.659 1.984 . . . . 0.0 109.239 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -63.85 -47.09 82.12 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 118.525 -0.75 . . . . 0.0 109.528 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -54.81 -49.83 70.04 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.659 1.118 . . . . 0.0 111.586 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.0 t -62.25 -38.35 88.92 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.503 1.047 . . . . 0.0 110.003 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.5 m -65.06 -26.4 68.23 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.941 0.897 . . . . 0.0 110.331 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -89.87 -26.69 20.36 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.898 -1.126 . . . . 0.0 110.253 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.04 37.93 83.43 Favored Glycine 0 C--N 1.339 0.697 0 CA-C-N 118.987 0.812 . . . . 0.0 111.762 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 pp -132.16 25.42 4.55 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.628 1.171 . . . . 0.0 112.181 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.95 117.89 24.21 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 -178.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.62 148.59 21.31 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 121.717 -0.614 . . . . 0.0 109.467 178.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.9 mm -77.86 -54.72 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 121.81 0.814 . . . . 0.0 110.96 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -59.62 -12.8 7.4 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 128.077 2.551 . . . . 0.0 113.719 -177.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -97.33 -42.69 7.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 118.096 -0.954 . . . . 0.0 112.244 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.4 pt -63.87 -14.92 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 120.29 1.404 . . . . 0.0 112.57 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -76.24 -25.73 55.31 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.445 0.566 . . . . 0.0 109.673 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -107.28 -22.51 12.57 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 124.167 0.987 . . . . 0.0 111.593 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -80.97 101.26 9.39 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 102.341 -3.207 . . . . 0.0 102.341 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 m -69.79 176.21 3.78 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.388 0.613 . . . . 0.0 112.054 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.7 mtt -52.01 -36.83 51.29 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -70.13 -32.31 70.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.296 0.953 . . . . 0.0 111.249 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.52 -42.48 78.45 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 178.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.33 -31.49 72.12 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.58 -47.88 81.87 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.2 m -59.44 -28.69 67.19 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.405 1.082 . . . . 0.0 111.717 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.9 mt -78.59 12.85 1.84 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.148 0.979 . . . . 0.0 111.473 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.1 48.7 10.26 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 125.953 1.701 . . . . 0.0 110.768 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.0 mm -107.67 118.28 53.56 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -67.64 142.33 58.12 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.307 2.004 . . . . 0.0 108.095 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -48.3 -39.31 21.32 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.179 1.392 . . . . 0.0 114.634 -178.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -54.98 -52.8 61.97 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 125.091 1.356 . . . . 0.0 111.27 -177.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -82.71 -40.1 21.06 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 118.582 -0.723 . . . . 0.0 109.727 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -48.84 -48.36 41.83 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 124.534 1.134 . . . . 0.0 110.404 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -62.91 -25.3 68.26 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 118.701 -0.666 . . . . 0.0 111.157 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.11 -56.45 5.09 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 120.73 1.604 . . . . 0.0 109.717 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 tt -56.83 -54.32 31.09 Favored 'Isoleucine or valine' 0 C--N 1.338 0.1 0 C-N-CA 124.119 0.967 . . . . 0.0 109.862 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -51.28 70.12 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 123.689 0.618 . . . . 0.0 110.822 -177.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -41.21 79.06 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.784 178.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.11 -50.75 64.51 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 124.344 0.974 . . . . 0.0 113.422 -178.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 5.9 tp -73.82 -38.99 51.71 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 CA-C-N 118.471 1.135 . . . . 0.0 112.187 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.95 -32.98 74.7 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -72.72 -39.37 67.0 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.455 1.102 . . . . 0.0 110.631 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -62.13 -55.43 28.92 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.123 1.369 . . . . 0.0 107.852 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -30.79 71.37 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.67 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -71.6 -20.91 61.92 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 117.975 -1.012 . . . . 0.0 113.274 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.0 mt . . . . . 0 N--CA 1.463 0.202 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -179.381 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.24 0.571 0 N-CA-C 104.144 -2.539 . . . . 0.0 104.144 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.8 mt -55.59 -23.82 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-O 118.508 -0.758 . . . . 0.0 111.524 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.1 m -49.85 -48.19 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 119.201 0.91 . . . . 0.0 111.042 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.2 m -65.49 -44.28 87.57 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 124.488 1.115 . . . . 0.0 110.793 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -62.22 -47.72 83.17 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.387 0.613 . . . . 0.0 109.443 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -60.53 -44.9 95.56 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 125.489 1.516 . . . . 0.0 111.076 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.61 -43.61 80.34 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.8 mtp-105 -65.35 -44.9 86.24 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-O 118.444 -0.788 . . . . 0.0 110.431 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.2 mt -62.71 -26.35 68.63 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.982 0.81 . . . . 0.0 110.973 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.36 5.98 45.27 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 125.762 1.649 . . . . 0.0 110.276 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.3 m -68.02 148.26 51.27 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.733 -0.863 . . . . 0.0 109.462 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.5 m -129.87 -87.34 0.52 Allowed 'General case' 0 C--O 1.226 -0.178 0 CA-C-O 117.087 -1.435 . . . . 0.0 110.06 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.9 m -53.23 -28.18 25.94 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 121.276 1.853 . . . . 0.0 114.421 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.6 t -65.55 -33.95 77.11 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.0 0.818 . . . . 0.0 110.147 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -40.58 87.77 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 117.086 -1.435 . . . . 0.0 107.498 179.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -62.79 -40.91 98.79 Favored 'General case' 0 C--O 1.232 0.176 0 O-C-N 124.778 1.299 . . . . 0.0 111.721 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -64.54 -48.68 74.18 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -58.03 -44.56 87.42 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.0 p -66.76 -44.67 80.78 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 123.725 0.81 . . . . 0.0 110.734 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.11 -32.78 74.43 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 118.807 0.73 . . . . 0.0 110.455 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -74.42 -16.77 60.86 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 122.031 -0.418 . . . . 0.0 110.328 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 59.38 39.99 95.49 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 127.666 2.555 . . . . 0.0 113.153 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.8 22.25 5.0 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 124.729 1.212 . . . . 0.0 113.288 -178.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 t -85.81 118.55 25.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.363 0.601 . . . . 0.0 109.401 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.98 146.94 22.21 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.1 mm -79.8 -47.46 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-O 122.429 1.109 . . . . 0.0 110.106 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -57.88 -16.24 11.24 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 129.312 3.045 . . . . 0.0 111.815 -177.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -97.67 -46.36 6.03 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.686 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.5 pt -60.92 -21.55 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 120.429 1.468 . . . . 0.0 112.84 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.58 -27.82 65.44 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.944 1.247 . . . . 0.0 110.129 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -109.0 -23.27 11.77 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 117.949 -1.024 . . . . 0.0 113.674 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -66.26 125.45 25.61 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 119.77 1.168 . . . . 0.0 108.969 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.9 m -93.97 177.05 6.11 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.485 0.66 . . . . 0.0 109.867 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -49.29 -28.02 4.39 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 116.128 1.899 . . . . 0.0 116.128 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.1 -50.28 64.61 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 119.062 0.846 . . . . 0.0 111.086 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.24 -39.97 94.61 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.584 -179.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.0 mt -59.99 -51.18 70.77 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.13 87.28 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.1 t -56.43 -39.27 72.82 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.331 1.452 . . . . 0.0 111.107 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.5 mt -83.79 22.81 1.07 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.968 1.707 . . . . 0.0 113.132 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? 66.93 27.65 8.85 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.998 1.719 . . . . 0.0 113.472 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.4 mm -104.66 91.07 3.84 Favored Pre-proline 0 CA--C 1.545 0.755 0 N-CA-C 105.176 -2.157 . . . . 0.0 105.176 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -76.06 163.07 33.6 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.553 2.168 . . . . 0.0 111.892 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -50.42 -26.76 5.37 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.274 1.43 . . . . 0.0 113.985 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -54.77 -30.94 58.01 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.848 1.659 . . . . 0.0 110.496 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -128.42 -36.28 1.9 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.076 1.351 . . . . 0.0 112.172 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.29 -38.88 28.83 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 126.947 2.099 . . . . 0.0 114.556 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -68.8 -31.04 69.75 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 117.869 -1.063 . . . . 0.0 109.976 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.4 -49.61 32.53 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.625 0.77 . . . . 0.0 111.099 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -52.45 60.97 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -59.76 -47.28 86.32 Favored 'General case' 0 N--CA 1.441 -0.91 0 O-C-N 123.858 0.723 . . . . 0.0 111.022 -177.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -59.94 -39.74 86.57 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 117.424 -1.274 . . . . 0.0 109.754 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.83 -51.98 51.67 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 119.033 0.833 . . . . 0.0 114.428 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.7 tp -69.63 -37.67 74.77 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 O-C-N 121.499 -1.001 . . . . 0.0 111.886 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.418 ' CD1' ' HE ' ' A' ' 66' ' ' ARG . 3.8 mm? -65.42 -31.72 72.96 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 178.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -39.52 75.13 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 118.315 0.507 . . . . 0.0 111.439 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -61.18 -53.17 60.31 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.418 ' HE ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -70.0 -23.14 63.1 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 119.122 -1.031 . . . . 0.0 111.174 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -79.86 -18.14 51.46 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.116 0.871 . . . . 0.0 110.1 179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.1 mt . . . . . 0 CA--C 1.534 0.331 0 C-N-CA 124.646 1.178 . . . . 0.0 113.722 -179.362 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.238 0.478 0 N-CA-C 105.044 -2.206 . . . . 0.0 105.044 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.68 -18.76 13.23 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.111 0 C-N-CA 124.258 1.023 . . . . 0.0 110.768 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.2 m -51.53 -49.0 34.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 119.254 0.933 . . . . 0.0 110.849 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.4 m -63.74 -41.47 98.02 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.823 1.249 . . . . 0.0 110.595 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -65.41 -49.55 68.8 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.988 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -59.67 -39.82 85.75 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.008 0.923 . . . . 0.0 110.546 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.92 -44.78 87.07 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -66.31 -43.03 87.38 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.913 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.9 mt -62.19 -26.58 68.43 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 118.714 0.688 . . . . 0.0 110.904 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.94 7.97 60.81 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 125.345 1.45 . . . . 0.0 110.287 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.7 p -84.44 132.25 34.58 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-O 118.969 -0.539 . . . . 0.0 109.885 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.2 m -122.14 -48.59 2.1 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 117.418 -1.277 . . . . 0.0 113.225 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -57.37 -36.78 71.67 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 120.862 1.665 . . . . 0.0 110.354 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.7 m -69.98 -34.57 73.52 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.708 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.74 -40.45 88.35 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -59.47 -51.06 71.49 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 124.511 1.124 . . . . 0.0 109.083 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -62.93 -49.42 74.83 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -59.46 -45.16 92.4 Favored 'General case' 0 C--O 1.236 0.375 0 O-C-N 120.93 -1.107 . . . . 0.0 113.068 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.1 p -64.21 -45.27 89.0 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.2 m -62.31 -41.78 98.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 118.259 -0.876 . . . . 0.0 109.775 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -66.72 -27.59 67.75 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 120.349 1.431 . . . . 0.0 109.326 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.16 31.49 54.98 Favored Glycine 0 C--N 1.34 0.773 0 C-N-CA 124.319 0.961 . . . . 0.0 112.889 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.82 27.5 6.01 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.842 1.257 . . . . 0.0 113.243 -177.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.81 118.29 26.11 Favored 'General case' 0 C--O 1.236 0.389 0 O-C-N 121.13 -0.981 . . . . 0.0 109.612 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.36 149.02 23.76 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mt -80.41 -53.56 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-O 122.478 1.132 . . . . 0.0 111.617 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -57.7 -30.74 65.75 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 125.441 1.496 . . . . 0.0 112.246 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -72.85 -52.14 16.02 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 118.645 -0.693 . . . . 0.0 109.703 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.4 pt -63.9 -16.51 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 119.244 0.929 . . . . 0.0 112.555 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -66.89 -27.59 67.63 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -114.21 -22.92 9.72 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-O 117.475 -1.25 . . . . 0.0 112.835 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -71.12 105.51 3.41 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 104.288 -2.486 . . . . 0.0 104.288 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 m -69.85 175.07 4.58 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 122.192 0.996 . . . . 0.0 112.114 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -50.91 -31.77 18.6 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.1 1.36 . . . . 0.0 113.593 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -71.55 -50.44 31.12 Favored 'General case' 0 CA--C 1.526 0.057 0 C-N-CA 125.392 1.477 . . . . 0.0 111.238 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -38.84 85.59 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 mp -58.96 -51.57 69.51 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.24 91.21 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.146 0.43 . . . . 0.0 110.811 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.42 ' C ' ' H ' ' A' ' 49' ' ' LYS . 24.4 t -61.49 -36.0 79.27 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.632 1.573 . . . . 0.0 111.583 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 mt -75.91 27.15 0.11 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.42 1.888 . . . . 0.0 111.829 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 47' ' ' SER . 29.0 mmtp 69.13 -2.75 1.71 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 128.768 2.827 . . . . 0.0 113.278 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.2 mm -65.51 125.1 88.96 Favored Pre-proline 0 CA--C 1.538 0.507 0 O-C-N 121.246 -0.909 . . . . 0.0 111.012 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -69.3 145.24 59.16 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.097 1.865 . . . . 0.0 108.935 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -51.7 -39.98 59.32 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -178.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -62.03 -44.58 96.4 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -82.02 -43.98 17.25 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 118.876 -0.583 . . . . 0.0 109.472 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -38.69 60.27 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.114 0.87 . . . . 0.0 110.298 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -63.24 -38.0 89.44 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.432 0.693 . . . . 0.0 110.442 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.93 -51.37 62.24 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 119.274 0.943 . . . . 0.0 111.105 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.0 tt -61.46 -53.91 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -58.18 -57.26 13.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.075 0.859 . . . . 0.0 110.761 -178.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -57.23 -37.09 71.75 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 119.06 0.845 . . . . 0.0 110.269 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.19 -50.96 61.94 Favored Glycine 0 CA--C 1.524 0.654 0 CA-C-N 118.856 0.753 . . . . 0.0 111.798 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.6 tt -71.86 -40.67 69.12 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.658 0 CA-C-N 118.342 1.071 . . . . 0.0 111.7 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.1 -35.22 73.05 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -73.92 -37.93 64.46 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.807 0.813 . . . . 0.0 111.208 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -63.59 -55.29 24.84 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -30.03 70.96 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 118.887 -0.578 . . . . 0.0 110.045 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -72.8 -21.66 60.95 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.448 1.022 . . . . 0.0 111.978 178.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.5 mt . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -179.398 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--O 1.235 0.313 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.6 mt -49.26 -27.62 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 C-N-CA 125.46 1.504 . . . . 0.0 112.129 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 m -49.34 -47.05 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 119.454 1.025 . . . . 0.0 112.618 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 t -69.35 -41.14 76.99 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.423 0.63 . . . . 0.0 110.171 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -62.85 -46.84 86.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.467 0.651 . . . . 0.0 109.874 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -62.16 -37.5 85.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.965 1.306 . . . . 0.0 110.616 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.58 -45.81 88.28 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -62.65 -41.91 99.31 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 118.552 -0.737 . . . . 0.0 111.234 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.2 mt -62.91 -45.69 91.32 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.381 0.991 . . . . 0.0 109.829 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.04 30.88 5.85 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 125.168 1.366 . . . . 0.0 110.427 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.6 p -78.85 168.99 18.92 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.243 1.022 . . . . 0.0 109.262 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.3 m -133.32 -66.64 0.65 Allowed 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.196 0.453 . . . . 0.0 111.276 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.6 m -65.88 -32.9 74.68 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.252 0.549 . . . . 0.0 111.996 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.4 m -64.3 -42.28 96.46 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.059 0.944 . . . . 0.0 112.669 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -35.96 81.25 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 124.522 1.139 . . . . 0.0 110.136 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -63.43 -49.43 73.72 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -56.68 -54.38 46.76 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.942 0.776 . . . . 0.0 109.946 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -54.92 -52.03 64.2 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.1 p -61.17 -51.11 70.42 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.802 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.2 m -62.93 -36.17 82.53 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.306 0.957 . . . . 0.0 111.057 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -69.78 -17.69 63.44 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.19 0.904 . . . . 0.0 111.058 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.85 33.91 85.56 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 125.915 1.721 . . . . 0.0 112.984 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.74 21.67 8.33 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.037 1.335 . . . . 0.0 113.38 -177.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.8 119.21 25.05 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 121.442 -0.786 . . . . 0.0 108.904 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -155.96 146.77 22.09 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 176.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.5 mm -79.44 -50.18 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-O 123.087 1.422 . . . . 0.0 111.326 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -60.1 -30.43 69.25 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.333 1.453 . . . . 0.0 111.531 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -76.2 -43.72 41.09 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 118.292 -0.861 . . . . 0.0 109.63 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.5 pt -64.92 -18.64 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 119.918 1.236 . . . . 0.0 111.999 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -72.38 -18.85 61.7 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -114.87 -24.56 8.6 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.308 0.958 . . . . 0.0 110.708 178.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -74.88 99.03 3.68 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.6 p -72.09 177.84 4.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.801 1.24 . . . . 0.0 112.682 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.8 ptm -53.01 -27.33 18.86 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.139 0.976 . . . . 0.0 113.552 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -75.9 -50.41 15.11 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.228 1.011 . . . . 0.0 111.024 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -34.24 77.28 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.6 mt -68.83 -49.06 61.62 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.58 -38.29 77.58 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.9 t -61.0 -39.46 89.79 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.441 1.496 . . . . 0.0 108.66 178.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.6 mt -71.57 13.01 0.28 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.506 1.522 . . . . 0.0 112.386 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? 73.76 8.54 4.91 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 129.083 2.953 . . . . 0.0 112.16 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.6 mm -70.39 114.34 25.25 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -67.26 145.04 70.85 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 121.388 1.392 . . . . 0.0 108.795 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -51.61 -35.11 40.3 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -58.18 -52.83 63.91 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.26 1.024 . . . . 0.0 109.653 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -76.96 -41.43 43.18 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.547 0.739 . . . . 0.0 110.147 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -48.15 -46.49 34.59 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.623 1.969 . . . . 0.0 111.15 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -62.38 -38.37 89.31 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.265 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.84 -50.04 72.51 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.903 1.229 . . . . 0.0 112.421 -178.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.0 tt -63.2 -54.17 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.648 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -62.3 -51.08 69.1 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 123.685 0.616 . . . . 0.0 112.347 -177.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -58.45 -41.52 85.31 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 117.993 -1.004 . . . . 0.0 109.363 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.04 -50.43 65.48 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 118.701 0.682 . . . . 0.0 112.169 -177.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.59 -42.64 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 CA-C-N 118.19 0.995 . . . . 0.0 111.677 -178.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.4 -34.95 79.11 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 118.937 -1.105 . . . . 0.0 108.674 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -72.04 -38.38 69.52 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.812 -0.555 . . . . 0.0 111.16 -178.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -66.38 -55.99 13.23 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 127.274 2.23 . . . . 0.0 109.193 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -31.05 72.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -75.02 -29.71 60.9 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 118.737 -1.185 . . . . 0.0 111.724 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.8 mt . . . . . 0 N--CA 1.469 0.482 0 CA-C-N 119.976 1.262 . . . . 0.0 113.494 -179.696 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.8 m . . . . . 0 C--O 1.235 0.319 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.31 -25.52 13.9 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 CA-C-O 117.253 -1.356 . . . . 0.0 113.349 -178.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 m -56.06 -45.6 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 120.051 1.296 . . . . 0.0 110.244 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 t -67.5 -41.08 85.05 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.285 0.634 . . . . 0.0 109.68 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -62.46 -48.14 80.95 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.7 m-30 -60.71 -39.04 87.09 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 117.853 -1.07 . . . . 0.0 110.715 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.9 -37.43 84.59 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 118.533 0.606 . . . . 0.0 109.626 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.6 mtm105 -75.3 -38.08 60.49 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.046 0.384 . . . . 0.0 110.379 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.7 mt -64.01 -41.15 97.55 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.3 6.3 20.28 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 125.928 1.728 . . . . 0.0 111.756 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.2 m -59.4 158.7 9.04 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.037 1.419 . . . . 0.0 111.018 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.0 t -133.06 -90.1 0.4 Allowed 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.85 -32.42 44.57 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.172 1.789 . . . . 0.0 113.102 -178.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.5 m -68.49 -26.85 65.67 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.25 -0.906 . . . . 0.0 111.824 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.83 -43.1 76.19 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.65 -45.61 88.95 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 126.105 1.762 . . . . 0.0 110.512 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -61.47 -53.99 49.26 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.72 -49.26 73.52 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.3 p -64.52 -39.02 93.01 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.036 0.934 . . . . 0.0 111.144 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.9 m -67.73 -37.39 82.12 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -74.58 -20.02 60.09 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.761 0.71 . . . . 0.0 110.24 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.69 35.33 91.88 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 127.132 2.301 . . . . 0.0 113.861 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.87 18.76 10.18 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.527 1.531 . . . . 0.0 113.248 -178.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.17 119.32 24.87 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.53 149.38 25.39 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.2 mt -79.14 -56.04 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 122.543 1.163 . . . . 0.0 112.634 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -62.59 -25.97 68.36 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 125.964 1.705 . . . . 0.0 113.611 -177.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -76.47 -53.75 7.68 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.5 pt -62.95 -14.26 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 118.788 0.722 . . . . 0.0 112.629 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -76.4 -20.11 57.46 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.993 0.917 . . . . 0.0 109.8 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -115.07 -23.06 9.21 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.823 1.649 . . . . 0.0 111.382 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -79.11 100.77 7.54 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 103.546 -2.761 . . . . 0.0 103.546 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.3 m -64.18 175.05 1.36 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.527 1.131 . . . . 0.0 112.183 -179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 60.9 mtm -59.91 -28.75 67.86 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 120.883 -1.136 . . . . 0.0 110.74 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.15 -43.16 99.32 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.703 0.801 . . . . 0.0 109.288 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.15 -51.57 63.21 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 124.108 0.963 . . . . 0.0 109.024 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.7 mt -55.93 -45.73 78.67 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 123.786 0.834 . . . . 0.0 110.614 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.53 98.79 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 t -64.27 -29.08 70.18 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.591 -0.693 . . . . 0.0 110.51 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 mt -80.97 13.1 2.87 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.829 2.052 . . . . 0.0 111.35 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? 68.1 16.37 9.46 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 127.098 2.159 . . . . 0.0 112.675 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.9 mm -73.39 122.34 87.38 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -66.54 135.36 38.82 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.324 2.682 . . . . 0.0 110.893 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -41.22 -45.82 2.97 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.367 1.867 . . . . 0.0 115.149 -177.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -55.66 -51.39 67.42 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.97 0.908 . . . . 0.0 112.613 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -81.62 -43.9 17.97 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.12 0.968 . . . . 0.0 109.641 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.8 tmm_? -48.14 -53.43 16.75 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 126.756 2.022 . . . . 0.0 109.93 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -65.39 -30.67 71.51 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.318 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.81 -51.45 55.46 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 119.751 1.16 . . . . 0.0 111.485 -179.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.13 -52.36 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -55.97 -50.9 69.51 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 110.183 -178.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -57.15 -39.41 75.18 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 117.432 -1.271 . . . . 0.0 109.241 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.81 -51.18 59.02 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-N 119.692 1.133 . . . . 0.0 114.459 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.3 tt -70.79 -41.35 77.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-N 118.733 1.267 . . . . 0.0 110.552 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.68 -35.49 74.56 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.35 -31.52 64.01 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 125.616 1.566 . . . . 0.0 111.293 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -67.2 -50.22 61.72 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -37.26 78.4 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 117.915 -1.514 . . . . 0.0 108.917 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -67.34 -19.7 65.48 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 124.266 0.979 . . . . 0.0 111.86 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.531 0.24 0 CA-C-N 119.662 1.119 . . . . 0.0 108.607 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.7 m . . . . . 0 C--O 1.237 0.409 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.63 -28.43 36.85 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.333 178.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 m -52.92 -43.08 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 CA-C-N 118.922 0.783 . . . . 0.0 111.084 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -64.08 -41.28 97.37 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.856 0.462 . . . . 0.0 109.837 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -68.45 -48.81 63.58 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -60.04 -39.74 86.95 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 121.1 -1.0 . . . . 0.0 109.458 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.51 -38.18 88.94 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -64.23 -45.1 89.69 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.379 0.991 . . . . 0.0 108.48 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.2 mt -66.18 -23.98 66.55 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.059 0.845 . . . . 0.0 111.125 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.22 38.67 7.69 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 108.393 -1.883 . . . . 0.0 108.393 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.1 m -73.47 161.02 30.86 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.083 0.942 . . . . 0.0 110.761 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.4 t -127.8 -101.38 0.34 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 m -52.57 -29.92 28.1 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.56 1.544 . . . . 0.0 114.052 -178.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.3 m -62.58 -36.04 81.42 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.07 0.395 . . . . 0.0 111.071 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -38.82 82.19 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.091 0.956 . . . . 0.0 108.881 -179.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -63.85 -50.84 67.26 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.904 1.682 . . . . 0.0 108.803 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -56.88 -48.81 77.3 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.565 0.62 . . . . 0.0 109.479 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.29 -45.4 91.36 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.5 t -72.02 -34.53 68.91 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 118.307 0.503 . . . . 0.0 110.533 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.4 -36.95 84.14 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.378 0.99 . . . . 0.0 109.197 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -76.82 -27.19 55.09 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 118.774 -0.631 . . . . 0.0 111.952 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.02 37.85 49.12 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 123.89 0.757 . . . . 0.0 112.69 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.67 28.67 2.67 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.895 1.278 . . . . 0.0 112.457 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . 0.273 3.6 t -84.8 116.68 23.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 120.914 -1.116 . . . . 0.0 109.98 -177.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.09 147.73 21.43 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 121.398 -0.813 . . . . 0.0 111.408 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 mt -79.91 -51.52 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 122.62 1.2 . . . . 0.0 109.761 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -56.67 -27.35 58.53 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 126.676 1.99 . . . . 0.0 111.953 -177.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -82.18 -51.14 8.25 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 117.71 -1.138 . . . . 0.0 110.459 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.401 ' HA ' ' HB2' ' A' ' 40' ' ' TYR . 44.7 pt -60.72 -23.31 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 119.592 1.087 . . . . 0.0 110.831 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.03 -29.81 65.63 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.434 1.094 . . . . 0.0 109.252 178.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -114.73 -23.11 9.36 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.999 0.919 . . . . 0.0 112.637 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.401 ' HB2' ' HA ' ' A' ' 37' ' ' ILE . 8.6 m-85 -73.74 105.7 5.16 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 105.669 -1.974 . . . . 0.0 105.669 177.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 m -74.05 177.29 5.79 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.445 -0.785 . . . . 0.0 109.744 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -51.5 -22.23 3.0 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -68.6 -48.37 64.32 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.941 1.246 . . . . 0.0 109.626 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -46.15 89.08 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.7 mp -56.95 -43.24 81.35 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.86 -48.3 81.16 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.694 -1.254 . . . . 0.0 109.915 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.0 m -65.48 -20.55 66.4 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.394 -0.816 . . . . 0.0 112.258 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.1 mt -89.16 15.8 8.25 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.253 1.421 . . . . 0.0 111.592 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 71.11 25.65 3.63 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 127.139 2.176 . . . . 0.0 112.401 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.8 mm -100.12 98.65 7.91 Favored Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 105.606 -1.998 . . . . 0.0 105.606 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.55 158.18 44.09 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.173 2.582 . . . . 0.0 110.888 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -37.39 12.08 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.031 1.333 . . . . 0.0 113.438 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -54.53 -24.25 19.97 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.852 2.061 . . . . 0.0 113.322 -178.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -127.83 -40.65 1.7 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.337 1.055 . . . . 0.0 109.989 178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -47.33 -40.72 17.81 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 126.638 1.975 . . . . 0.0 111.658 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -64.16 -31.4 72.58 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 117.496 -1.24 . . . . 0.0 110.767 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.16 -48.85 31.88 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 120.049 1.295 . . . . 0.0 111.479 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 tt -60.66 -52.84 56.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -62.62 -56.13 20.65 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 123.725 0.641 . . . . 0.0 110.557 -177.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -57.87 -40.54 80.44 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 118.465 -0.779 . . . . 0.0 110.847 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.3 -49.25 80.67 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 119.329 0.968 . . . . 0.0 112.971 -178.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.76 -41.03 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 122.062 -0.669 . . . . 0.0 109.275 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.22 -32.59 73.28 Favored 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -72.03 -37.17 69.78 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.31 1.044 . . . . 0.0 109.458 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -67.36 -56.98 7.48 Favored 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 125.025 1.33 . . . . 0.0 109.347 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.62 -31.48 72.33 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 123.594 0.559 . . . . 0.0 110.491 -179.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -72.1 -38.66 69.29 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 118.536 0.607 . . . . 0.0 110.276 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 C--O 1.236 0.357 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -178.657 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.477 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.98 169.35 13.56 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 122.841 2.361 . . . . 0.0 109.602 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.9 tp -134.65 75.56 1.59 Allowed 'General case' 0 C--O 1.237 0.414 0 CA-C-O 122.301 1.048 . . . . 0.0 110.119 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.99 -77.21 2.07 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 107.82 -2.112 . . . . 0.0 107.82 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -75.99 165.02 25.57 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.213 1.005 . . . . 0.0 109.11 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.6 m -155.99 -37.13 0.08 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.887 0.875 . . . . 0.0 110.052 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -154.74 123.18 6.04 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 83.6 m -122.42 93.46 3.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 119.809 1.186 . . . . 0.0 112.506 -178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.3 m -142.77 173.91 11.12 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.803 1.241 . . . . 0.0 108.261 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.3 mt -60.74 -23.09 27.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 123.96 0.904 . . . . 0.0 109.875 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.2 m -48.54 -52.5 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 119.184 0.902 . . . . 0.0 110.836 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.4 t -65.28 -34.74 79.07 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 122.293 1.044 . . . . 0.0 111.494 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -69.23 -38.49 78.54 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 122.876 1.322 . . . . 0.0 110.597 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -72.68 -38.72 67.51 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 120.316 -1.49 . . . . 0.0 108.762 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.0 -50.2 71.53 Favored 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 124.198 0.936 . . . . 0.0 108.5 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -63.25 -47.93 80.37 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.8 mt -61.66 -32.75 72.94 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.347 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.67 4.32 34.42 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 125.286 1.422 . . . . 0.0 109.898 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.6 m -66.78 127.27 31.83 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.8 t -110.66 -85.13 0.55 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.135 0.974 . . . . 0.0 111.266 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 m -52.27 -32.46 37.42 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.898 1.226 . . . . 0.0 113.736 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.3 m -66.56 -30.92 71.34 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.57 -0.706 . . . . 0.0 111.6 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.24 -39.23 65.64 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -58.76 -50.29 74.46 Favored 'General case' 0 CA--C 1.516 -0.339 0 O-C-N 125.05 1.469 . . . . 0.0 108.039 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -58.07 -50.64 72.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -51.65 67.27 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.8 t -66.26 -34.9 79.04 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.549 0.613 . . . . 0.0 110.095 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.6 m -65.61 -43.3 90.04 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -66.67 -27.56 67.76 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.275 0.943 . . . . 0.0 108.904 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.75 21.02 64.56 Favored Glycine 0 C--N 1.342 0.883 0 C-N-CA 124.527 1.061 . . . . 0.0 113.553 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.18 28.77 8.17 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.461 1.905 . . . . 0.0 112.358 -178.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 t -89.08 119.29 29.46 Favored 'General case' 0 CA--C 1.519 -0.217 0 O-C-N 120.234 -1.541 . . . . 0.0 108.647 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.26 148.23 23.12 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 178.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -79.03 -54.22 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 122.039 0.923 . . . . 0.0 112.473 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -62.23 -24.59 67.33 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.639 0.776 . . . . 0.0 111.997 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -75.75 -48.27 22.49 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 118.165 -0.921 . . . . 0.0 109.892 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.6 pt -60.78 -25.15 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 120.385 1.448 . . . . 0.0 111.551 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -69.32 -19.1 63.88 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.23 1.012 . . . . 0.0 110.037 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.94 -22.98 9.83 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.387 1.475 . . . . 0.0 111.087 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -86.46 96.78 10.16 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.11 1.364 . . . . 0.0 108.352 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.56 173.97 3.07 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.592 1.157 . . . . 0.0 111.018 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -49.01 -27.57 3.29 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.591 1.957 . . . . 0.0 114.334 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.5 -43.3 49.8 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.625 0.77 . . . . 0.0 112.701 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -45.07 91.2 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.1 mt -58.72 -44.37 90.4 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.657 1.183 . . . . 0.0 108.368 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.33 94.35 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.5 m -67.0 -16.27 64.26 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.184 0.593 . . . . 0.0 112.146 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.74 7.81 13.93 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.593 1.157 . . . . 0.0 108.829 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? 71.92 27.01 2.83 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 127.452 2.301 . . . . 0.0 110.861 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.2 mm -91.51 117.81 68.02 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.6 148.09 41.57 Favored 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 123.38 2.72 . . . . 0.0 112.2 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -36.39 17.27 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.185 2.194 . . . . 0.0 113.191 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -55.15 -28.17 50.89 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.707 0.803 . . . . 0.0 112.26 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -117.57 -43.96 2.78 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.931 0.892 . . . . 0.0 109.934 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -44.94 -54.99 5.89 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.98 2.112 . . . . 0.0 113.938 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -65.95 -30.01 70.51 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 119.067 -1.053 . . . . 0.0 110.705 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.77 -49.38 59.11 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 119.399 1.0 . . . . 0.0 109.592 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.3 tt -54.7 -50.0 63.66 Favored 'Isoleucine or valine' 0 C--O 1.244 0.768 0 CA-C-N 119.711 1.141 . . . . 0.0 110.048 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -64.79 -46.17 83.18 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 113.953 -1.476 . . . . 0.0 110.303 -178.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -59.57 -42.0 91.45 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 116.906 -1.521 . . . . 0.0 110.583 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.86 -50.74 62.78 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 119.441 1.019 . . . . 0.0 111.754 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.3 tp -69.3 -42.92 81.49 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.98 -32.52 74.09 Favored 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.5 -36.88 71.26 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -65.83 -56.33 12.44 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 123.403 0.681 . . . . 0.0 109.261 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -64.07 -25.41 68.1 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.325 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -76.7 -40.27 49.33 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.307 0.958 . . . . 0.0 110.012 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.8 mt -80.42 -13.01 59.49 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 117.807 -1.092 . . . . 0.0 113.528 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.16 -178.12 4.2 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 120.142 1.337 . . . . 0.0 111.275 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 CA--C 1.503 -0.851 0 C-N-CA 124.702 1.201 . . . . 0.0 109.021 -179.694 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.704 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.24 170.11 20.64 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 122.042 1.828 . . . . 0.0 108.459 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 tp -160.08 171.69 18.83 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.86 36.27 25.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 121.813 -0.554 . . . . 0.0 112.735 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 p -66.32 98.72 0.49 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.593 1.557 . . . . 0.0 111.348 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.0 m -67.82 137.73 55.57 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.6 p-10 -152.51 171.87 17.43 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 124.441 1.096 . . . . 0.0 110.626 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.6 m -135.34 127.15 29.29 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.631 1.172 . . . . 0.0 107.872 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.3 m -159.43 169.32 24.18 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.691 1.597 . . . . 0.0 107.828 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 mm -52.63 -29.72 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 117.617 -1.183 . . . . 0.0 112.756 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.5 m -50.35 -47.79 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 O-C-N 124.126 0.891 . . . . 0.0 110.877 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 t -60.75 -41.39 95.33 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.546 1.138 . . . . 0.0 110.243 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -66.79 -51.83 51.12 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.663 0.785 . . . . 0.0 110.438 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.54 -41.66 97.67 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.754 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.9 -48.69 80.68 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -62.57 -47.32 84.36 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.468 -0.77 . . . . 0.0 111.728 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.89 -31.0 72.03 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.166 0.439 . . . . 0.0 110.778 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.24 21.26 23.08 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 125.113 1.339 . . . . 0.0 110.174 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 39.3 m -60.98 143.64 54.86 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.151 0.975 . . . . 0.0 109.681 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.6 t -110.94 -111.75 0.33 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.463 1.105 . . . . 0.0 109.287 -179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 m -52.15 -21.41 3.28 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.073 1.749 . . . . 0.0 114.952 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 57.1 m -65.14 -30.32 71.24 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.293 -0.879 . . . . 0.0 109.666 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.37 -42.63 87.68 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 178.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -58.02 -44.59 87.4 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 126.573 1.949 . . . . 0.0 109.562 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 -63.14 -51.98 64.34 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -55.13 -50.16 69.97 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.0 t -60.55 -38.5 84.69 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.026 0.83 . . . . 0.0 109.319 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.0 m -63.75 -31.39 72.55 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.332 -0.855 . . . . 0.0 109.707 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -80.78 -24.47 38.58 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 120.901 -1.124 . . . . 0.0 110.314 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.64 39.73 97.87 Favored Glycine 0 C--N 1.342 0.87 0 CA-C-N 119.702 1.137 . . . . 0.0 112.294 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 pp -141.9 34.74 1.57 Allowed 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.779 1.232 . . . . 0.0 111.796 -178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.24 117.52 23.58 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.7 147.78 22.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 mt -79.61 -51.74 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 122.345 1.069 . . . . 0.0 111.762 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -56.0 -23.6 33.79 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 126.462 1.905 . . . . 0.0 111.936 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -86.76 -43.33 12.62 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 117.803 -1.094 . . . . 0.0 110.673 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.8 pt -62.48 -23.48 32.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 120.04 1.291 . . . . 0.0 110.771 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.4 -17.2 63.64 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.544 1.066 . . . . 0.0 110.222 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -114.83 -22.35 9.69 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.642 1.177 . . . . 0.0 113.285 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -76.41 151.66 36.48 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -114.01 175.12 5.61 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 123.778 0.831 . . . . 0.0 110.867 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.5 ptp -49.66 -31.1 10.25 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.55 1.54 . . . . 0.0 113.163 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.62 -41.65 92.44 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 126.35 1.86 . . . . 0.0 111.814 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.68 -43.24 48.37 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.7 mt -55.23 -41.0 71.51 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.35 -46.42 83.55 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.3 t -56.81 -43.41 80.94 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.054 0.942 . . . . 0.0 110.168 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.7 mt -76.55 29.22 0.12 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.691 1.996 . . . . 0.0 112.043 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt 65.27 11.14 7.03 Favored 'General case' 0 N--CA 1.46 0.056 0 C-N-CA 127.738 2.415 . . . . 0.0 116.17 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.3 mt -84.66 104.78 4.98 Favored Pre-proline 0 CA--C 1.549 0.908 0 CA-C-N 120.955 1.707 . . . . 0.0 111.527 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -78.28 159.62 29.59 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.883 2.389 . . . . 0.0 110.815 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -55.85 -27.23 50.55 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -58.3 -23.14 55.44 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.836 0.744 . . . . 0.0 111.918 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -128.21 -32.97 2.2 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.045 1.338 . . . . 0.0 111.907 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -51.63 -38.24 53.81 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 126.026 1.731 . . . . 0.0 111.105 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -64.57 -33.81 76.78 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-O 118.81 -0.614 . . . . 0.0 110.331 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.56 -51.18 59.27 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 119.618 1.099 . . . . 0.0 111.891 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.8 tt -61.2 -53.88 42.85 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 123.48 0.712 . . . . 0.0 109.502 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -59.32 -56.85 16.86 Favored 'General case' 0 N--CA 1.441 -0.894 0 O-C-N 124.353 1.033 . . . . 0.0 110.871 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -57.51 -39.39 76.41 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 118.785 -0.626 . . . . 0.0 110.824 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.89 -50.36 68.4 Favored Glycine 0 CA--C 1.523 0.589 0 CA-C-N 119.407 1.003 . . . . 0.0 112.339 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 5.6 tp -74.15 -39.02 49.64 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.636 0 CA-C-O 119.089 -0.482 . . . . 0.0 111.888 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.46 -32.64 74.15 Favored 'General case' 0 C--O 1.223 -0.299 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -72.33 -40.38 67.48 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -63.55 -56.86 12.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.688 1.195 . . . . 0.0 108.738 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -26.6 68.74 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 118.687 -0.673 . . . . 0.0 110.564 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -78.62 -21.83 47.89 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.249 0.931 . . . . 0.0 110.827 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.8 mt -112.54 -1.65 14.85 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.61 135.73 47.2 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 121.711 2.05 . . . . 0.0 108.465 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t70 . . . . . 0 C--O 1.25 1.122 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 178.898 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.721 0 N-CA-C 110.201 -1.16 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -70.12 174.18 10.2 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 122.917 2.411 . . . . 0.0 111.398 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp -95.71 -91.26 0.22 Allowed 'General case' 0 C--O 1.233 0.208 0 N-CA-C 105.306 -2.109 . . . . 0.0 105.306 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.09 160.92 9.84 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 128.083 2.754 . . . . 0.0 108.194 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.9 m -87.99 -172.21 3.73 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.678 1.191 . . . . 0.0 108.553 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.8 m -63.38 156.03 27.13 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 49.39 32.88 4.9 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 127.032 2.133 . . . . 0.0 113.336 178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.6 t -76.89 -67.45 0.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.9 m -135.6 156.94 48.06 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 123.628 0.771 . . . . 0.0 109.85 -178.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.0 mm -52.16 -27.68 10.1 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 C-N-CA 124.58 1.152 . . . . 0.0 114.109 -178.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -53.47 -45.64 58.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 118.345 0.521 . . . . 0.0 110.315 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -74.41 -35.42 63.42 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 124.114 0.966 . . . . 0.0 110.966 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -63.24 -48.51 77.93 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -61.76 -35.83 79.26 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.014 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.38 97.46 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -68.77 -44.25 74.08 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.861 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.98 -39.16 93.87 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.6 11.3 17.54 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 125.673 1.606 . . . . 0.0 112.213 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 t -57.32 159.08 4.91 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.862 1.331 . . . . 0.0 111.864 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.3 t -125.5 -105.45 0.34 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.702 1.201 . . . . 0.0 109.048 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.8 m -52.25 -28.08 17.39 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 116.585 2.069 . . . . 0.0 116.585 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.3 m -72.04 -24.14 61.49 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 120.173 1.351 . . . . 0.0 111.51 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -41.49 67.93 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 177.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.56 -45.99 90.41 Favored 'General case' 0 CA--C 1.515 -0.372 0 O-C-N 123.616 0.572 . . . . 0.0 110.185 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -56.1 -47.61 77.74 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -57.55 -50.71 72.19 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.268 0.485 . . . . 0.0 111.0 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.9 p -61.38 -45.3 94.94 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.264 0.938 . . . . 0.0 111.231 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.5 m -62.96 -28.95 70.44 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.938 1.695 . . . . 0.0 110.301 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -84.95 -23.35 28.83 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.09 0.956 . . . . 0.0 111.824 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.14 40.53 71.71 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.929 1.252 . . . . 0.0 113.071 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.03 23.66 4.2 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.099 1.759 . . . . 0.0 113.167 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.74 118.37 23.86 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 120.964 -1.085 . . . . 0.0 109.123 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.98 146.74 22.03 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 177.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.2 mm -79.13 -55.6 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-O 122.803 1.287 . . . . 0.0 112.065 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -59.25 -20.27 52.74 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 126.441 1.896 . . . . 0.0 113.106 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -85.33 -42.33 14.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 118.566 -0.731 . . . . 0.0 112.616 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.2 pt -62.34 -19.36 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 119.69 1.132 . . . . 0.0 111.058 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -75.98 -12.06 60.07 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 118.985 0.811 . . . . 0.0 112.205 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -114.04 -23.58 9.47 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.803 0.841 . . . . 0.0 110.302 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -79.25 96.12 5.84 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.506 1.122 . . . . 0.0 108.248 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.2 m -67.16 173.98 3.47 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 122.422 1.106 . . . . 0.0 110.734 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 77.4 mtm -55.25 -31.05 61.23 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.393 1.077 . . . . 0.0 113.073 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -61.33 -50.33 73.4 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 118.912 0.778 . . . . 0.0 110.369 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -41.69 88.77 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 122.729 0.412 . . . . 0.0 109.97 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.6 mt -58.92 -51.22 70.99 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.83 -32.13 72.43 Favored 'General case' 0 C--O 1.238 0.474 0 O-C-N 121.223 -0.923 . . . . 0.0 112.081 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.433 ' C ' ' H ' ' A' ' 49' ' ' LYS . 33.5 t -67.81 -39.73 83.93 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.552 1.541 . . . . 0.0 109.748 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.2 mt -70.76 23.85 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 128.394 2.678 . . . . 0.0 113.536 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.433 ' H ' ' C ' ' A' ' 47' ' ' SER . 35.2 mmtm 67.36 10.15 7.52 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 128.839 2.856 . . . . 0.0 112.949 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.2 mm -73.46 122.15 86.91 Favored Pre-proline 0 C--O 1.238 0.481 0 C-N-CA 124.321 1.048 . . . . 0.0 109.431 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.17 147.56 54.18 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 N-CA-C 107.583 -1.737 . . . . 0.0 107.583 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -51.56 -39.66 58.25 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 124.701 1.2 . . . . 0.0 113.996 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -56.41 -53.24 59.72 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.957 1.303 . . . . 0.0 112.234 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -76.38 -43.77 39.18 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.9 ttp85 -48.55 -47.18 39.58 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.32 1.048 . . . . 0.0 111.109 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -61.24 -35.53 77.51 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.351 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.59 -44.45 64.44 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 119.326 0.967 . . . . 0.0 112.219 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.44 -51.65 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 CA-C-N 118.941 0.792 . . . . 0.0 108.969 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -58.24 -44.57 88.34 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.172 -178.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -62.33 -40.64 97.0 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.379 178.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.13 -50.82 63.76 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 119.87 1.214 . . . . 0.0 112.288 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.9 tp -70.43 -41.74 78.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 118.658 -0.687 . . . . 0.0 112.134 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.97 -32.44 72.89 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -71.32 -39.41 71.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.258 0.552 . . . . 0.0 110.015 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -68.32 -52.63 31.31 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.486 1.115 . . . . 0.0 111.047 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -31.1 72.17 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 118.099 -0.953 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -77.27 -30.51 54.35 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 118.361 -1.335 . . . . 0.0 111.402 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.7 mt -68.64 -46.9 67.99 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 124.4 1.08 . . . . 0.0 111.242 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.01 -175.46 4.56 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.184 0.594 . . . . 0.0 111.957 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.5 t0 . . . . . 0 C--O 1.245 0.831 0 C-N-CA 126.338 1.855 . . . . 0.0 107.813 -178.666 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.474 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -63.55 175.66 2.68 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 123.05 2.5 . . . . 0.0 112.377 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.9 mt -109.05 175.2 5.54 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.729 1.612 . . . . 0.0 108.98 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.51 49.9 0.05 OUTLIER Glycine 0 C--N 1.337 0.624 0 CA-C-O 118.438 -1.201 . . . . 0.0 115.236 178.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.99 -62.07 1.95 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.064 1.432 . . . . 0.0 109.75 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 m -96.13 135.25 38.18 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -76.7 -56.48 4.57 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 34.0 m -75.59 80.15 2.59 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.271 1.428 . . . . 0.0 109.795 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.7 t -157.6 155.87 30.89 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.32 1.448 . . . . 0.0 107.477 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.2 mt -58.33 -22.02 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 125.109 1.364 . . . . 0.0 110.356 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.2 m -48.89 -48.38 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.061 0.846 . . . . 0.0 112.453 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 t -65.05 -41.71 94.94 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 125.135 1.374 . . . . 0.0 109.888 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -61.8 -47.29 85.8 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.7 m-30 -64.09 -36.38 83.84 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.69 1.196 . . . . 0.0 109.679 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.15 -35.44 80.29 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -71.9 -48.84 42.8 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.4 mt -62.96 -36.25 82.83 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.889 0.875 . . . . 0.0 112.612 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.68 15.69 14.58 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 125.757 1.646 . . . . 0.0 110.913 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -81.61 104.46 12.04 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.952 1.376 . . . . 0.0 107.676 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.2 m -84.13 -82.77 0.16 Allowed 'General case' 0 C--O 1.234 0.244 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -23.11 22.95 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.277 1.031 . . . . 0.0 113.681 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.3 m -66.48 -33.93 76.8 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 120.983 -1.073 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 pp -71.19 -35.95 71.76 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -61.43 -45.09 95.77 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 123.965 0.906 . . . . 0.0 109.576 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -59.18 -49.84 76.32 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -59.75 -53.39 58.55 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.403 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.0 p -52.64 -41.11 63.46 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 120.986 1.721 . . . . 0.0 111.463 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.1 m -65.99 -39.31 90.2 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.056 0.844 . . . . 0.0 110.133 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -68.95 -14.58 63.12 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 120.381 1.446 . . . . 0.0 111.321 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.89 31.11 77.22 Favored Glycine 0 C--N 1.342 0.862 0 C-N-CA 124.963 1.268 . . . . 0.0 113.421 178.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 pp -126.92 22.13 6.79 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.806 1.242 . . . . 0.0 113.446 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.89 118.35 24.46 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.67 148.13 22.42 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.4 mt -78.74 -54.96 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 122.134 0.968 . . . . 0.0 111.009 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.85 -25.92 61.34 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 126.772 2.029 . . . . 0.0 112.953 -177.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -79.27 -53.65 6.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 118.3 -0.857 . . . . 0.0 109.703 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.2 pt -60.44 -25.88 35.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-N 119.008 0.822 . . . . 0.0 110.414 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.71 -27.21 69.1 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.03 0.832 . . . . 0.0 110.973 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -111.53 -22.06 11.44 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.017 0.927 . . . . 0.0 113.007 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -77.78 115.62 17.67 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.8 m -70.43 164.97 23.5 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.63 -0.669 . . . . 0.0 109.955 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.0 ptm -54.58 -26.85 34.95 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.34 -45.36 94.76 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 125.687 1.595 . . . . 0.0 109.769 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -42.53 89.01 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 124.723 1.209 . . . . 0.0 109.695 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.6 mp -60.01 -42.71 94.92 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.68 92.08 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.254 -0.904 . . . . 0.0 108.778 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 72.8 m -65.95 -21.12 66.41 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.232 -0.918 . . . . 0.0 110.617 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.2 mt -91.3 19.38 6.04 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.074 1.35 . . . . 0.0 109.824 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt 67.87 13.47 9.19 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 128.586 2.755 . . . . 0.0 114.143 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.1 mm -72.85 120.9 83.38 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.02 138.53 37.2 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.23 2.62 . . . . 0.0 109.763 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.04 -43.99 3.41 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 127.83 2.452 . . . . 0.0 113.733 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -54.46 -49.94 68.87 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 123.91 0.884 . . . . 0.0 111.603 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -87.34 -40.5 14.39 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.24 0.616 . . . . 0.0 111.085 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -48.67 -41.81 32.61 Favored 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 126.357 1.863 . . . . 0.0 110.291 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -62.78 -38.0 88.91 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 118.629 -0.7 . . . . 0.0 111.045 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.22 -45.29 73.71 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 119.474 1.034 . . . . 0.0 111.865 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.8 tt -61.87 -49.85 82.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 O-C-N 121.321 -0.862 . . . . 0.0 109.198 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -61.3 -56.7 17.54 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 124.44 1.088 . . . . 0.0 110.919 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -57.37 -44.99 84.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 118.462 -0.78 . . . . 0.0 110.55 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.39 -50.23 57.33 Favored Glycine 0 C--N 1.335 0.474 0 CA-C-N 118.819 0.736 . . . . 0.0 112.295 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -75.01 -39.8 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-O 118.842 -0.599 . . . . 0.0 112.023 -178.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.89 -34.45 77.98 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 119.734 -0.786 . . . . 0.0 108.939 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.87 -35.32 64.71 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -62.86 -56.85 13.66 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -30.31 71.4 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-O 119.114 -0.469 . . . . 0.0 110.493 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -67.32 -31.69 72.15 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 119.553 -0.859 . . . . 0.0 109.47 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 86.4 mt -97.6 -19.32 18.39 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 114.868 1.432 . . . . 0.0 114.868 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -125.02 95.57 4.55 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 127.229 2.212 . . . . 0.0 106.655 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.247 0.946 0 C-N-CA 125.656 1.582 . . . . 0.0 111.731 -179.579 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.667 0 CA-C-O 119.211 -0.772 . . . . 0.0 111.497 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -86.56 -26.12 1.08 Allowed 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 122.528 2.152 . . . . 0.0 113.273 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 mp -120.14 157.14 29.64 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.98 1.312 . . . . 0.0 109.616 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.9 47.49 0.02 OUTLIER Glycine 0 CA--C 1.523 0.593 0 CA-C-O 119.153 -0.804 . . . . 0.0 111.343 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.9 m -78.61 131.51 36.74 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 118.048 0.924 . . . . 0.0 108.857 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.0 p -95.19 29.74 2.38 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.571 1.148 . . . . 0.0 111.53 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.3 155.13 39.65 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 121.33 -0.856 . . . . 0.0 111.655 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.87 123.78 24.08 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.7 m -168.14 163.71 13.33 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.677 1.191 . . . . 0.0 109.439 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.1 mm -49.36 -29.23 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.773 1.629 . . . . 0.0 111.728 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -48.77 -48.88 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 t -67.42 -41.55 84.65 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 122.946 0.498 . . . . 0.0 111.442 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -63.27 -48.27 78.87 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.474 0.71 . . . . 0.0 109.683 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -62.8 -43.93 97.49 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.889 1.276 . . . . 0.0 110.277 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.14 -43.23 82.23 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -63.42 -49.65 72.91 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 118.635 0.652 . . . . 0.0 110.791 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.76 -38.54 88.39 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 117.783 0.265 . . . . 0.0 110.684 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.89 10.42 20.99 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 126.158 1.837 . . . . 0.0 111.079 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.8 m -79.27 102.99 8.89 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 105.144 -2.169 . . . . 0.0 105.144 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.7 t -87.57 -71.89 0.55 Allowed 'General case' 0 CA--C 1.527 0.095 0 CA-C-N 118.839 0.745 . . . . 0.0 112.384 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -52.45 -31.04 32.76 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.49 1.041 . . . . 0.0 112.67 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.4 m -63.28 -31.44 72.59 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 121.598 -0.689 . . . . 0.0 111.311 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.74 -38.83 73.56 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -60.78 -44.23 97.05 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -60.64 -51.69 68.32 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -56.75 -42.78 79.9 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.1 p -71.69 -39.84 69.96 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.691 0.796 . . . . 0.0 111.323 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.0 m -65.25 -40.65 94.28 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -71.73 -14.57 62.05 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.92 -0.488 . . . . 0.0 112.133 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.1 27.39 72.26 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 126.383 1.944 . . . . 0.0 113.878 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 pp -117.1 19.22 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 125.574 1.55 . . . . 0.0 112.996 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.33 115.88 22.72 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.36 148.11 21.34 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 177.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 mm -79.5 -55.45 9.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-O 122.396 1.093 . . . . 0.0 112.136 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -59.62 -18.49 41.96 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 126.697 1.999 . . . . 0.0 113.445 -177.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -85.27 -47.78 9.73 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 118.067 -0.968 . . . . 0.0 109.38 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.7 pt -63.98 -22.65 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 119.823 1.192 . . . . 0.0 111.468 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -63.44 -27.48 69.31 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.413 1.485 . . . . 0.0 109.69 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -114.44 -22.14 10.0 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.662 1.985 . . . . 0.0 113.276 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -76.04 98.83 4.42 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 m -70.81 172.23 9.21 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.641 0.776 . . . . 0.0 109.465 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -48.4 -34.32 10.65 Favored 'General case' 0 C--O 1.227 -0.118 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -177.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.66 -50.22 73.88 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.572 1.149 . . . . 0.0 110.107 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.94 -43.58 78.8 Favored 'General case' 0 CA--C 1.517 -0.312 0 O-C-N 121.749 -0.594 . . . . 0.0 110.822 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 mt -58.35 -48.61 80.01 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.02 97.91 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 119.203 -0.427 . . . . 0.0 110.366 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -63.82 -26.4 68.61 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.266 0.485 . . . . 0.0 111.273 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.5 mt -76.5 10.99 1.78 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.498 1.519 . . . . 0.0 110.59 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? 74.55 3.19 4.24 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 129.385 3.074 . . . . 0.0 113.112 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.8 mm -65.74 115.48 22.94 Favored Pre-proline 0 CA--C 1.533 0.316 0 N-CA-C 103.441 -2.8 . . . . 0.0 103.441 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.86 151.08 68.38 Favored 'Trans proline' 0 N--CA 1.451 -1.01 0 CA-C-N 120.31 1.147 . . . . 0.0 109.882 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -54.58 -35.63 63.52 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.398 1.079 . . . . 0.0 109.984 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -61.01 -14.47 23.3 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.337 2.255 . . . . 0.0 113.214 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -125.92 -38.57 2.18 Favored 'General case' 0 CA--C 1.522 -0.107 0 C-N-CA 125.387 1.475 . . . . 0.0 110.978 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.34 -34.0 45.41 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.5 1.046 . . . . 0.0 110.971 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -63.49 -32.2 73.58 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 119.232 0.924 . . . . 0.0 109.874 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.72 -53.71 30.62 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 119.88 1.218 . . . . 0.0 110.614 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.8 tt -61.04 -53.16 52.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -60.12 -49.87 75.93 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.61 -0.709 . . . . 0.0 112.019 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -61.91 -37.25 83.93 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 119.682 1.128 . . . . 0.0 110.442 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.72 -50.34 68.77 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 119.96 -1.114 . . . . 0.0 110.991 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.6 tp -70.35 -44.79 77.17 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.42 -34.34 73.81 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.02 -39.65 69.03 Favored 'General case' 0 C--O 1.222 -0.354 0 O-C-N 123.395 0.434 . . . . 0.0 109.925 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -66.66 -51.1 59.98 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.393 1.477 . . . . 0.0 110.533 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -28.35 67.12 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -79.29 -24.34 42.96 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.228 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.09 -27.55 18.5 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -130.31 117.46 19.82 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 . . . . . 0 C--O 1.249 1.064 0 C-N-CA 125.384 1.473 . . . . 0.0 111.176 -179.746 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.999 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -62.59 161.74 27.1 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 123.057 2.505 . . . . 0.0 111.338 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.4 tp -161.43 117.35 2.13 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.43 151.27 5.5 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 p -150.72 171.94 16.37 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 125.179 1.392 . . . . 0.0 107.887 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.04 130.78 31.88 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.0 -68.05 0.46 Allowed 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.8 t -78.97 92.35 4.93 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.5 t -160.62 165.59 30.42 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 126.855 2.062 . . . . 0.0 106.708 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.0 mm -61.54 -18.15 18.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 CA-C-O 117.833 -1.079 . . . . 0.0 111.754 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 m -53.51 -51.68 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 119.205 0.912 . . . . 0.0 109.318 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.6 m -60.86 -42.19 97.39 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.147 1.379 . . . . 0.0 110.116 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -62.02 -45.53 93.19 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.534 -0.729 . . . . 0.0 109.518 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.11 -39.9 95.05 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 117.52 -1.229 . . . . 0.0 110.666 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.15 -44.4 87.85 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.5 mtp85 -72.62 -35.22 67.77 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 mt -68.66 -35.37 77.15 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 119.166 -0.445 . . . . 0.0 109.997 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.35 6.38 36.2 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 125.944 1.735 . . . . 0.0 110.348 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 84.4 m -71.47 106.97 4.15 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.3 m -81.0 -100.51 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.627 1.571 . . . . 0.0 111.062 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.9 p -51.63 -26.56 9.19 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.413 1.885 . . . . 0.0 114.585 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 75.9 m -63.73 -32.38 73.85 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 120.833 -1.167 . . . . 0.0 110.683 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.43 -38.27 74.52 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -58.79 -44.67 90.78 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.023 0.929 . . . . 0.0 109.563 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -65.49 -49.7 68.04 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.98 -49.05 72.4 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.283 0.947 . . . . 0.0 112.887 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.9 p -62.24 -47.75 83.01 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.191 0.996 . . . . 0.0 110.159 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 m -65.03 -32.74 74.61 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.377 -0.82 . . . . 0.0 110.252 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -72.85 -26.95 61.65 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.964 1.256 . . . . 0.0 109.788 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.12 36.89 39.17 Favored Glycine 0 C--N 1.338 0.66 0 C-N-CA 124.531 1.063 . . . . 0.0 113.144 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.39 22.37 4.03 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.234 1.414 . . . . 0.0 113.636 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.41 118.07 24.03 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.004 -1.06 . . . . 0.0 108.209 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.93 149.62 23.52 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -78.51 -55.64 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.829 0.823 . . . . 0.0 111.693 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -59.57 -22.61 61.99 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 126.377 1.871 . . . . 0.0 112.918 -176.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -83.87 -52.97 5.93 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 118.675 -0.679 . . . . 0.0 110.638 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.8 pt -62.05 -23.18 30.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 118.728 0.695 . . . . 0.0 110.837 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -64.83 -24.35 67.52 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 118.397 -0.811 . . . . 0.0 109.631 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -114.46 -23.45 9.33 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.582 1.083 . . . . 0.0 112.624 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -71.45 105.54 3.61 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.567 1.547 . . . . 0.0 108.078 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.0 m -67.6 170.53 7.54 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.567 0.698 . . . . 0.0 112.1 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -27.0 21.62 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.597 1.559 . . . . 0.0 112.267 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -64.67 -49.26 71.68 Favored 'General case' 0 N--CA 1.46 0.049 0 C-N-CA 124.859 1.264 . . . . 0.0 108.27 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.22 -45.25 94.17 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 mp -55.67 -47.41 76.76 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.86 -45.62 93.0 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 118.889 -0.577 . . . . 0.0 110.153 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 59.7 p -61.95 -32.53 72.96 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 118.913 0.779 . . . . 0.0 111.805 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.3 mt -75.79 11.78 1.27 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.715 1.606 . . . . 0.0 111.052 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.85 20.24 8.06 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 128.742 2.817 . . . . 0.0 113.351 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.3 mm -77.18 124.51 87.17 Favored Pre-proline 0 CA--C 1.543 0.694 0 CA-C-N 118.668 0.667 . . . . 0.0 109.254 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -66.41 135.35 39.18 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.92 2.413 . . . . 0.0 110.715 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -41.52 -50.49 3.98 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 116.867 2.173 . . . . 0.0 116.867 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -55.31 -42.45 73.72 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.351 1.06 . . . . 0.0 111.4 -177.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -86.18 -44.79 11.91 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.801 -0.618 . . . . 0.0 110.83 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -50.77 -48.15 59.42 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.734 0.814 . . . . 0.0 113.143 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -68.31 -25.32 65.07 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.322 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.39 -47.22 43.79 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 119.875 1.216 . . . . 0.0 110.443 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -62.1 -50.72 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -54.38 -51.96 63.18 Favored 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 124.298 0.999 . . . . 0.0 109.9 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -57.74 -39.89 78.39 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 118.529 -0.748 . . . . 0.0 109.98 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.91 -50.6 65.71 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 119.382 0.992 . . . . 0.0 113.376 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.5 tp -71.45 -40.88 72.87 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-N 118.06 0.93 . . . . 0.0 111.813 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.08 -32.43 72.97 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -73.29 -41.33 63.71 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -61.32 -56.96 14.54 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -23.77 66.09 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.011 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -67.15 -42.9 83.57 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 120.26 1.391 . . . . 0.0 108.702 177.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.9 mt -76.22 -60.38 2.36 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 123.344 0.658 . . . . 0.0 111.201 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -75.7 177.92 6.48 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.96 1.304 . . . . 0.0 110.12 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 p30 . . . . . 0 C--O 1.247 0.967 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 178.286 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.716 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -69.23 163.35 38.18 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.301 2.001 . . . . 0.0 110.9 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.5 mt -81.04 -32.13 34.22 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 118.826 -0.607 . . . . 0.0 111.277 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.85 -108.86 2.69 Favored Glycine 0 C--N 1.334 0.453 0 N-CA-C 105.54 -3.024 . . . . 0.0 105.54 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m 60.28 -0.49 0.25 Allowed 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.3 p -78.14 -21.86 49.64 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 120.242 1.383 . . . . 0.0 113.53 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -72.95 167.37 21.18 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 122.071 0.938 . . . . 0.0 111.415 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 98.4 m -105.81 77.85 1.29 Allowed 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.522 1.129 . . . . 0.0 108.963 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -141.56 175.64 9.52 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 124.132 0.973 . . . . 0.0 108.634 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mm -54.78 -22.18 9.27 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 CA-C-O 117.47 -1.252 . . . . 0.0 112.609 -178.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.2 m -55.43 -43.97 74.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 120.385 1.448 . . . . 0.0 110.394 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 t -68.36 -43.02 78.35 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 123.35 0.66 . . . . 0.0 109.915 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -66.83 -53.18 35.23 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 123.037 0.211 . . . . 0.0 111.473 -177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -58.87 -40.22 83.7 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.779 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.4 89.33 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -63.23 -36.74 84.67 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 118.692 0.678 . . . . 0.0 110.929 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.2 mt -66.2 -30.78 71.3 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.155 0.888 . . . . 0.0 110.117 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.77 16.12 18.34 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 126.055 1.788 . . . . 0.0 110.241 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 79.8 m -76.0 152.48 36.95 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.258 1.029 . . . . 0.0 110.283 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.7 t -123.25 -93.55 0.51 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.068 0.947 . . . . 0.0 109.148 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -52.36 -25.4 9.66 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.044 1.738 . . . . 0.0 114.102 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.2 m -64.33 -43.06 95.83 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 120.878 -1.139 . . . . 0.0 110.129 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.27 -34.06 74.18 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -59.72 -44.17 93.84 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 124.478 1.111 . . . . 0.0 108.87 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -64.62 -46.96 80.37 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.65 -43.56 89.83 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.3 p -67.37 -44.35 79.19 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 m -60.24 -42.19 94.75 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -71.66 -24.43 61.84 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.06 -1.025 . . . . 0.0 111.167 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.87 35.34 65.6 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 124.416 1.008 . . . . 0.0 112.294 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 pp -127.11 26.52 6.06 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.961 1.304 . . . . 0.0 112.508 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.44 115.94 22.81 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.194 -0.942 . . . . 0.0 108.654 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.77 148.28 20.8 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 122.067 -0.396 . . . . 0.0 112.044 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -79.54 -54.1 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.98 0.912 . . . . 0.0 112.039 178.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -60.71 -17.54 48.88 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 124.845 1.258 . . . . 0.0 113.567 -177.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -80.26 -49.98 10.85 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.6 pt -63.11 -24.53 36.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 117.591 -1.195 . . . . 0.0 114.062 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -65.01 -19.28 65.92 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 121.04 1.745 . . . . 0.0 109.359 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -114.26 -22.82 9.75 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.258 1.023 . . . . 0.0 111.828 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -76.5 104.29 6.93 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 107.046 -1.465 . . . . 0.0 107.046 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -75.2 166.91 22.9 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 126.609 1.964 . . . . 0.0 110.436 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.09 -26.99 4.99 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.551 1.54 . . . . 0.0 114.92 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -75.34 -47.57 27.09 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 124.189 0.996 . . . . 0.0 110.544 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.56 -48.98 75.22 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 125.665 1.586 . . . . 0.0 108.208 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.5 mt -56.09 -49.68 73.14 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 124.968 1.307 . . . . 0.0 107.892 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.65 -39.24 93.27 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 121.56 -0.713 . . . . 0.0 111.274 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -27.83 69.49 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.353 0.524 . . . . 0.0 110.402 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.0 mt -77.08 15.02 0.76 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.216 1.006 . . . . 0.0 111.168 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.51 40.24 6.3 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 127.697 2.399 . . . . 0.0 111.851 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.3 mm -100.13 101.55 14.82 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 103.818 -2.66 . . . . 0.0 103.818 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -67.89 150.5 78.39 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.301 2.001 . . . . 0.0 111.249 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -48.8 -40.48 29.23 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.016 1.326 . . . . 0.0 114.439 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -55.16 -17.38 4.17 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.808 1.643 . . . . 0.0 113.421 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -124.61 -44.27 1.98 Allowed 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.844 1.658 . . . . 0.0 109.856 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.4 ttp85 -50.18 -43.86 52.61 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 126.349 1.859 . . . . 0.0 112.299 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -62.67 -32.98 74.14 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 119.103 -0.475 . . . . 0.0 111.481 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.8 -46.32 53.81 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.954 0.901 . . . . 0.0 111.564 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -59.69 -51.46 72.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 119.105 0.866 . . . . 0.0 108.986 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -60.85 -49.29 78.08 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 124.089 0.868 . . . . 0.0 110.803 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -64.05 -36.94 85.65 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 118.402 -0.809 . . . . 0.0 110.963 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.32 -50.36 67.33 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 119.787 1.176 . . . . 0.0 111.2 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.62 -44.8 59.95 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.419 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.89 -32.75 74.08 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.073 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -72.8 -38.06 67.34 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.477 0.581 . . . . 0.0 110.266 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -65.17 -56.61 11.87 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 124.523 1.129 . . . . 0.0 108.378 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -29.96 71.08 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.335 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -73.81 -30.86 62.95 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.286 0.948 . . . . 0.0 111.238 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.5 mt -97.44 -8.37 29.51 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.491 ' CD2' ' H ' ' A' ' 70' ' ' ASP . 49.4 t60 -127.36 -170.51 2.23 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 126.406 1.882 . . . . 0.0 108.859 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.491 ' H ' ' CD2' ' A' ' 69' ' ' HIS . 17.4 t70 . . . . . 0 C--O 1.25 1.105 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.544 0 CA-C-O 118.499 -1.167 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -71.08 158.71 54.39 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.346 2.031 . . . . 0.0 109.899 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -147.69 136.97 22.4 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.23 -68.13 3.52 Favored Glycine 0 C--N 1.331 0.297 0 N-CA-C 109.059 -1.617 . . . . 0.0 109.059 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.3 16.67 0.12 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.061 1.744 . . . . 0.0 112.253 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.2 p -69.57 -11.78 61.11 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 125.678 1.591 . . . . 0.0 111.033 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -89.59 -44.28 10.19 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 127.524 2.329 . . . . 0.0 112.299 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 99.6 m -116.69 104.23 11.16 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 126.281 1.832 . . . . 0.0 108.732 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m -152.55 160.72 43.2 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.589 1.956 . . . . 0.0 107.415 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.3 mm -48.04 -31.39 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.344 1.458 . . . . 0.0 111.509 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.5 m -48.96 -48.65 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 O-C-N 123.91 0.756 . . . . 0.0 112.044 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 t -67.32 -38.12 84.41 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.474 0.579 . . . . 0.0 110.952 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -64.27 -48.16 76.78 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.36 -0.837 . . . . 0.0 108.758 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -62.0 -41.0 97.58 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.929 1.692 . . . . 0.0 111.285 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.74 -50.36 73.49 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -59.27 -43.09 92.5 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-O 118.4 -0.81 . . . . 0.0 111.392 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.62 -40.24 96.33 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.956 0.798 . . . . 0.0 110.414 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.37 14.86 7.97 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 126.066 1.794 . . . . 0.0 111.577 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.2 m -62.71 165.87 6.06 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.193 1.497 . . . . 0.0 112.261 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.8 t -129.05 -110.21 0.27 Allowed 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.5 m -52.36 -21.94 4.1 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.238 1.415 . . . . 0.0 114.65 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.8 m -61.33 -34.94 76.08 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.044 -1.035 . . . . 0.0 109.688 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.94 -40.69 87.64 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.85 -49.69 75.25 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 126.778 2.031 . . . . 0.0 110.74 -178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -60.7 -47.97 83.88 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -58.04 -49.95 75.12 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.296 2.9 t -65.04 -45.66 84.5 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.768 1.227 . . . . 0.0 111.518 -177.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.3 m -59.15 -38.84 80.69 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -75.35 -17.47 60.23 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.21 40.96 87.55 Favored Glycine 0 CA--C 1.527 0.807 0 O-C-N 121.149 -0.97 . . . . 0.0 111.518 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pp -129.79 19.07 5.61 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.465 1.106 . . . . 0.0 112.368 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.45 119.09 26.33 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 121.21 -0.931 . . . . 0.0 111.162 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.01 148.06 23.31 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.285 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.4 mm -78.92 -47.86 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 122.43 1.109 . . . . 0.0 109.597 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.07 -26.51 68.87 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.677 1.991 . . . . 0.0 112.816 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -81.24 -42.68 20.35 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 121.865 -0.522 . . . . 0.0 112.162 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.5 pt -60.69 -18.57 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 CA-C-N 118.608 0.64 . . . . 0.0 112.278 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -62.27 -26.36 68.36 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.947 0.794 . . . . 0.0 109.531 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -116.25 -22.16 8.99 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.69 1.196 . . . . 0.0 113.545 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -68.85 110.71 4.5 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.854 1.206 . . . . 0.0 109.193 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 m -77.13 177.87 7.49 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.718 0.77 . . . . 0.0 110.507 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -62.72 -22.87 66.84 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.247 0.619 . . . . 0.0 110.637 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -65.09 -50.22 66.98 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 126.481 1.912 . . . . 0.0 110.335 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.94 -43.36 88.28 Favored 'General case' 0 N--CA 1.461 0.114 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.9 mt -54.55 -51.82 63.99 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.62 -40.87 84.54 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.258 0.623 . . . . 0.0 110.871 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.89 -32.57 73.86 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 122.581 0.352 . . . . 0.0 110.392 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.6 mt -82.57 35.28 0.45 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.874 1.269 . . . . 0.0 111.526 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 tptp 63.78 2.46 1.32 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.111 2.164 . . . . 0.0 116.841 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.9 mm -67.69 122.89 85.37 Favored Pre-proline 0 CA--C 1.539 0.547 0 C-N-CA 124.38 1.072 . . . . 0.0 109.958 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -73.37 141.24 31.54 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.729 2.286 . . . . 0.0 106.26 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -57.35 -29.86 64.35 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 119.455 1.025 . . . . 0.0 113.188 -178.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -55.42 -30.31 60.23 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.778 1.231 . . . . 0.0 111.825 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -109.94 -31.14 7.5 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.211 1.404 . . . . 0.0 109.739 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -54.7 -34.97 63.11 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 120.572 1.533 . . . . 0.0 108.175 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -63.82 -28.55 69.94 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 123.871 0.868 . . . . 0.0 110.895 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.57 -56.73 5.83 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 120.351 1.432 . . . . 0.0 109.517 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.7 tt -60.1 -53.9 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 119.637 -0.22 . . . . 0.0 110.606 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -53.01 63.08 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 123.677 0.61 . . . . 0.0 111.505 -177.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -58.7 -38.46 78.32 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 119.463 1.029 . . . . 0.0 109.712 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.94 -50.27 69.48 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 119.64 1.109 . . . . 0.0 112.06 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -42.6 55.25 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 CA-C-O 118.564 -0.731 . . . . 0.0 112.143 -178.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.53 -33.74 74.33 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.59 -35.13 65.36 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -67.4 -57.12 7.16 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 123.094 0.558 . . . . 0.0 109.57 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -29.17 70.44 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.316 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -73.54 -41.46 62.96 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.897 1.226 . . . . 0.0 110.816 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.2 mt -90.09 -4.11 57.54 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -136.1 19.86 3.21 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.054 1.341 . . . . 0.0 111.537 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.7 t0 . . . . . 0 C--O 1.251 1.139 0 C-N-CA 126.643 1.977 . . . . 0.0 109.527 -179.667 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.772 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -61.72 148.72 92.43 Favored 'Trans proline' 0 C--O 1.238 0.509 0 C-N-CA 122.739 2.293 . . . . 0.0 110.907 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.3 tt -143.83 128.64 18.33 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.2 1.4 . . . . 0.0 109.106 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.59 163.36 18.82 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 125.207 1.384 . . . . 0.0 110.32 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -73.05 105.29 4.44 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.6 p -86.85 -20.92 26.77 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.578 -0.701 . . . . 0.0 110.926 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 38.02 56.55 1.62 Allowed 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 129.489 3.116 . . . . 0.0 112.052 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.6 p -132.82 26.82 4.32 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.432 1.093 . . . . 0.0 112.808 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -154.46 162.15 41.31 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 124.642 1.177 . . . . 0.0 110.002 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.0 mm -58.58 -24.8 26.44 Favored 'Isoleucine or valine' 0 C--N 1.346 0.437 0 CA-C-O 117.337 -1.316 . . . . 0.0 111.592 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -50.45 -41.52 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 120.572 1.533 . . . . 0.0 111.049 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.0 t -73.07 -37.63 66.74 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -63.6 -49.87 71.64 Favored 'General case' 0 C--N 1.339 0.132 0 O-C-N 121.006 -1.059 . . . . 0.0 109.73 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.7 m-30 -61.12 -40.44 93.78 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 118.424 -0.798 . . . . 0.0 109.78 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.87 -47.79 84.77 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -64.26 -34.07 77.27 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 124.213 1.005 . . . . 0.0 112.532 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.5 mt -70.71 -50.94 30.94 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 178.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.08 -5.23 8.95 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 127.677 2.56 . . . . 0.0 111.493 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.2 m -60.8 104.4 0.35 Allowed 'General case' 0 C--N 1.342 0.262 0 C-N-CA 125.921 1.688 . . . . 0.0 110.603 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.54 -93.17 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.748 1.219 . . . . 0.0 113.364 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.4 m -56.22 -18.15 9.5 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 114.622 1.342 . . . . 0.0 114.622 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.2 m -62.97 -33.3 75.1 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.714 1.143 . . . . 0.0 109.669 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -38.06 75.97 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -58.67 -47.69 83.64 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 124.259 1.023 . . . . 0.0 109.462 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -61.97 -51.08 69.51 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -58.3 -45.42 88.01 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.6 t -67.19 -34.55 77.74 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.6 m -69.18 -25.21 64.23 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.524 -1.36 . . . . 0.0 110.405 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -87.57 -23.51 24.31 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.5 1.12 . . . . 0.0 111.082 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.5 39.89 86.74 Favored Glycine 0 C--N 1.342 0.915 0 C-N-CA 124.759 1.171 . . . . 0.0 113.633 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.45 29.08 1.79 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.803 1.641 . . . . 0.0 112.27 -178.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 t -88.04 118.17 27.41 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 120.873 -1.142 . . . . 0.0 110.643 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -158.54 149.8 20.76 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.017 -1.052 . . . . 0.0 111.849 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -79.08 -48.66 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 124.475 1.11 . . . . 0.0 110.822 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -60.25 -28.62 68.18 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 125.321 1.448 . . . . 0.0 112.062 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -76.37 -49.66 16.24 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.248 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.7 pt -63.01 -19.9 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 119.027 0.83 . . . . 0.0 112.65 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.44 -25.83 68.18 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -115.05 -24.15 8.71 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.654 1.182 . . . . 0.0 113.316 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -74.73 97.16 3.18 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.2 m -64.36 167.76 6.47 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.144 0.978 . . . . 0.0 111.294 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -53.94 -24.28 15.89 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -74.66 -40.16 61.6 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.659 1.183 . . . . 0.0 109.888 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.69 -42.65 77.52 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 178.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.6 mt -56.05 -51.45 67.77 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.66 -41.29 76.99 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.748 0.704 . . . . 0.0 111.215 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.1 t -58.74 -34.69 71.66 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.938 0.895 . . . . 0.0 111.713 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.5 mt -75.3 27.83 0.1 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.687 1.995 . . . . 0.0 114.509 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.44 33.56 13.59 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.643 1.577 . . . . 0.0 112.469 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 33.3 mm -101.19 133.94 20.65 Favored Pre-proline 0 CA--C 1.538 0.508 0 C-N-CA 125.073 1.349 . . . . 0.0 111.465 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -75.68 157.01 40.11 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.676 2.251 . . . . 0.0 107.966 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.3 -36.94 85.63 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 115.335 1.605 . . . . 0.0 115.335 -177.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -59.93 -53.09 61.98 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.575 1.079 . . . . 0.0 111.29 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -67.69 -42.9 81.34 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.09 -47.41 61.88 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 118.867 0.758 . . . . 0.0 109.302 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -63.26 -32.73 74.21 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 116.814 -1.565 . . . . 0.0 111.041 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.55 -52.57 44.19 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 120.748 1.613 . . . . 0.0 110.713 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.16 -53.02 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 O-C-N 122.033 -0.417 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -43.06 85.92 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 123.561 0.538 . . . . 0.0 110.523 -178.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -62.17 -40.67 96.8 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-O 117.96 -1.019 . . . . 0.0 108.882 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.25 -51.32 57.4 Favored Glycine 0 C--O 1.226 -0.398 0 CA-C-N 119.22 0.918 . . . . 0.0 113.115 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.8 tp -66.29 -44.87 90.92 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.505 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.3 -31.34 71.93 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -73.95 -37.51 64.52 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.751 0.421 . . . . 0.0 110.209 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -65.9 -57.41 7.94 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.22 1.408 . . . . 0.0 107.207 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.54 -27.53 69.03 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 118.352 -0.832 . . . . 0.0 111.514 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -75.31 -31.05 60.53 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 120.515 1.507 . . . . 0.0 110.161 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.9 mt -98.1 -14.86 20.23 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -136.12 177.34 7.91 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 127.381 2.273 . . . . 0.0 111.134 -178.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.1 t70 . . . . . 0 C--O 1.249 1.06 0 C-N-CA 126.11 1.764 . . . . 0.0 106.342 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.56 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.81 -31.9 12.26 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 122.195 1.93 . . . . 0.0 111.461 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.1 -57.46 10.53 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.941 0.896 . . . . 0.0 108.999 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.57 -165.25 36.7 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 109.739 -1.344 . . . . 0.0 109.739 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -74.4 -179.38 3.95 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.206 1.402 . . . . 0.0 110.057 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 p -79.0 75.63 5.5 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 122.354 1.074 . . . . 0.0 109.446 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -118.45 166.72 12.34 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 127.563 2.345 . . . . 0.0 107.365 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.0 t -158.81 120.78 3.51 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -149.82 158.81 44.52 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.3 mt -50.29 -29.55 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.94 1.296 . . . . 0.0 111.328 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 m -50.83 -46.13 28.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 118.053 0.388 . . . . 0.0 110.935 178.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.5 t -66.23 -43.37 86.79 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.555 1.142 . . . . 0.0 109.457 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -59.5 -45.86 90.48 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -63.78 -44.81 92.3 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 117.658 -1.163 . . . . 0.0 110.901 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.65 -33.53 70.2 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.457 1.026 . . . . 0.0 110.321 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -71.25 -50.45 32.69 Favored 'General case' 0 C--O 1.232 0.144 0 O-C-N 121.009 -1.057 . . . . 0.0 108.843 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.6 mt -63.04 -34.85 78.45 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.478 0.711 . . . . 0.0 112.647 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.05 19.52 10.07 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 125.817 1.675 . . . . 0.0 109.661 -178.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 t -86.55 138.93 31.32 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 118.613 1.207 . . . . 0.0 109.989 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.83 -65.35 1.13 Allowed 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 125.102 1.361 . . . . 0.0 113.054 -178.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.33 -38.64 59.16 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -178.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -33.19 71.48 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 119.15 -1.02 . . . . 0.0 111.282 -178.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.0 -44.28 97.06 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.84 -42.32 97.55 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 123.787 0.679 . . . . 0.0 110.995 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -63.43 -54.45 36.32 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -55.91 -43.88 77.73 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.755 1.222 . . . . 0.0 113.832 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.5 p -68.91 -41.67 77.88 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.738 0.699 . . . . 0.0 110.503 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -33.92 76.93 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.281 0.946 . . . . 0.0 109.703 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -76.11 -18.32 59.21 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.702 0.683 . . . . 0.0 112.823 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.46 36.7 91.9 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 123.603 0.62 . . . . 0.0 112.733 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 pp -134.15 24.97 3.88 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.427 1.091 . . . . 0.0 112.974 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.05 119.07 25.03 Favored 'General case' 0 CA--C 1.519 -0.224 0 O-C-N 120.844 -1.16 . . . . 0.0 109.779 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.84 147.3 21.38 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.2 mm -79.09 -46.93 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 125.058 1.343 . . . . 0.0 109.975 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -58.59 -28.88 65.98 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.575 1.55 . . . . 0.0 110.943 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -82.68 -45.33 14.61 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.365 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.5 pt -60.87 -20.0 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-N 120.344 1.429 . . . . 0.0 111.478 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -60.81 -33.82 73.59 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.076 0.951 . . . . 0.0 108.693 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -113.15 -22.34 10.56 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 117.445 -1.264 . . . . 0.0 113.279 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -62.3 109.58 1.38 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 120.178 1.354 . . . . 0.0 109.516 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 m -74.25 173.31 10.36 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 122.145 0.974 . . . . 0.0 111.902 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.7 mmt -53.92 -36.97 63.32 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.224 1.41 . . . . 0.0 113.338 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.66 -43.04 97.9 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.457 0.703 . . . . 0.0 112.467 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -45.29 70.58 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.4 mt -57.1 -43.54 82.34 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.9 92.93 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.906 -0.496 . . . . 0.0 110.74 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -63.58 -31.38 72.52 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.358 0.663 . . . . 0.0 109.395 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.97 23.09 0.14 Allowed 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.742 -1.223 . . . . 0.0 110.684 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? 68.25 22.67 8.05 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.544 1.938 . . . . 0.0 112.29 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.5 mt -96.52 106.93 32.99 Favored Pre-proline 0 CA--C 1.548 0.896 0 O-C-N 120.5 -1.375 . . . . 0.0 109.446 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.84 147.4 74.81 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.331 2.688 . . . . 0.0 110.153 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -42.34 -45.15 4.17 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.349 1.86 . . . . 0.0 114.3 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -55.18 -35.82 65.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.963 1.305 . . . . 0.0 113.283 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -105.35 -31.27 9.13 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.982 0.513 . . . . 0.0 110.046 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -57.16 -40.13 76.63 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.049 -1.657 . . . . 0.0 108.506 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -66.47 -25.91 66.94 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.379 -0.826 . . . . 0.0 109.17 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.61 -56.45 8.19 Favored 'General case' 0 C--N 1.341 0.207 0 O-C-N 120.37 -1.456 . . . . 0.0 109.329 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.4 tt -56.07 -51.13 65.42 Favored 'Isoleucine or valine' 0 C--N 1.342 0.275 0 CA-C-N 118.824 0.738 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.62 -51.55 68.02 Favored 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 124.007 0.817 . . . . 0.0 110.82 -177.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -43.29 80.78 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 119.857 1.208 . . . . 0.0 109.403 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.37 -50.79 63.27 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-N 118.16 0.436 . . . . 0.0 113.196 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.5 tp -71.98 -37.33 60.49 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 118.935 -0.555 . . . . 0.0 111.845 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.32 -32.63 73.42 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.84 -38.24 70.15 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -63.91 -56.83 12.36 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 124.339 1.055 . . . . 0.0 109.058 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.12 -25.41 67.76 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 117.709 -1.139 . . . . 0.0 110.811 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -81.07 -23.09 38.72 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 120.224 1.374 . . . . 0.0 110.841 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.7 mt -107.38 -4.99 18.0 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -134.84 167.09 21.52 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.401 1.48 . . . . 0.0 107.39 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 C--O 1.25 1.113 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 -179.749 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.877 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.55 -21.05 19.84 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.667 2.245 . . . . 0.0 113.418 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.2 mp 49.62 38.02 14.02 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.428 1.491 . . . . 0.0 110.274 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.16 90.34 1.41 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 126.375 1.941 . . . . 0.0 112.89 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -165.91 159.53 15.91 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 126.772 2.029 . . . . 0.0 106.256 177.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.4 t -127.46 149.54 50.06 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -162.09 169.75 20.38 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 124.555 1.142 . . . . 0.0 108.421 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.6 m -99.27 113.33 25.55 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 105.661 -1.977 . . . . 0.0 105.661 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 m -149.13 178.14 8.99 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 126.065 1.746 . . . . 0.0 106.868 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.4 mm -50.17 -25.89 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 117.94 -1.029 . . . . 0.0 112.033 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.1 m -54.01 -51.57 44.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 119.125 0.875 . . . . 0.0 110.394 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.6 m -63.17 -42.79 99.46 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 124.357 1.063 . . . . 0.0 110.445 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -62.67 -47.03 85.43 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 121.069 0.461 . . . . 0.0 110.06 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -66.83 -36.75 83.07 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.372 1.069 . . . . 0.0 110.446 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.14 -41.96 84.86 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -70.74 -40.23 72.84 Favored 'General case' 0 C--N 1.345 0.409 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.6 mt -69.94 -25.29 63.59 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.548 0.739 . . . . 0.0 112.603 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.61 7.86 57.63 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 126.675 2.083 . . . . 0.0 110.033 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.4 m -70.12 111.08 5.52 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 117.659 0.73 . . . . 0.0 110.559 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.9 m -87.93 -92.09 0.11 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.006 1.722 . . . . 0.0 112.007 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 m -52.45 -29.72 26.06 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 120.386 1.448 . . . . 0.0 113.615 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.5 m -63.47 -33.47 75.65 Favored 'General case' 0 N--CA 1.444 -0.773 0 O-C-N 120.974 -1.079 . . . . 0.0 111.719 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.38 -40.98 77.08 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -57.19 -51.15 70.47 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.708 1.203 . . . . 0.0 108.908 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -55.49 -53.65 53.65 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -56.65 -44.56 81.43 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.3 p -56.96 -50.32 72.98 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 118.604 -0.712 . . . . 0.0 110.149 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.3 m -63.53 -37.89 89.03 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.273 1.029 . . . . 0.0 111.112 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -66.56 -20.68 66.07 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.7 39.68 95.42 Favored Glycine 0 C--N 1.339 0.706 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 pp -138.9 26.88 2.45 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.33 117.95 23.91 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.12 148.85 22.42 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 177.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.2 mm -78.95 -56.01 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 124.017 0.927 . . . . 0.0 112.933 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -65.31 -13.03 57.54 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 124.937 1.295 . . . . 0.0 114.104 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -85.67 -49.52 7.91 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 117.839 -1.077 . . . . 0.0 108.368 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.4 pt -61.73 -22.15 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 119.922 1.237 . . . . 0.0 110.8 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.8 -25.45 67.24 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.234 1.414 . . . . 0.0 109.79 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -113.03 -22.3 10.64 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.542 1.537 . . . . 0.0 111.73 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -78.27 94.32 4.78 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 m -67.82 -177.31 0.78 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.482 1.513 . . . . 0.0 110.827 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -46.77 40.11 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.165 1.386 . . . . 0.0 112.998 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -63.88 -35.54 80.99 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 118.899 -0.572 . . . . 0.0 112.48 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.87 -43.86 64.76 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 120.059 1.3 . . . . 0.0 109.723 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.8 mp -62.43 -44.99 95.11 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.49 -44.22 97.48 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.5 t -63.83 -24.7 67.85 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.386 1.074 . . . . 0.0 110.311 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.7 mt -80.99 12.97 2.94 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 119.917 -1.739 . . . . 0.0 109.775 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.18 12.74 8.89 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 128.73 2.812 . . . . 0.0 112.157 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.3 mm -76.35 122.44 86.74 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 123.751 0.82 . . . . 0.0 108.867 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.0 152.28 45.92 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.242 2.628 . . . . 0.0 109.432 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -30.66 68.77 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.208 -0.932 . . . . 0.0 113.033 -179.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -60.4 -13.41 13.2 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.804 1.642 . . . . 0.0 113.346 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -131.45 -39.66 1.14 Allowed 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.699 1.199 . . . . 0.0 110.38 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -33.7 61.06 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 119.844 1.202 . . . . 0.0 109.714 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -62.83 -39.37 94.13 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 119.033 -0.508 . . . . 0.0 111.213 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.76 -51.03 53.81 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 118.948 -0.548 . . . . 0.0 112.424 -177.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.2 tt -57.29 -51.01 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 O-C-N 123.776 0.673 . . . . 0.0 109.687 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -67.38 -53.16 31.75 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -56.21 -41.84 76.26 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 123.412 0.685 . . . . 0.0 109.37 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.97 -48.22 87.38 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 124.088 0.851 . . . . 0.0 112.299 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.3 tp -70.16 -44.36 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.74 0 CA-C-N 118.492 1.146 . . . . 0.0 110.313 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.13 -32.21 72.77 Favored 'General case' 0 C--O 1.219 -0.521 0 O-C-N 124.137 0.898 . . . . 0.0 109.156 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -71.63 -45.6 61.57 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -59.53 -56.44 21.88 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.973 1.709 . . . . 0.0 109.652 -178.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -31.51 72.77 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -77.26 -12.27 59.93 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 118.974 0.806 . . . . 0.0 110.831 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.9 mt -111.1 -7.79 14.47 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.127 1.371 . . . . 0.0 113.436 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -147.32 113.37 5.82 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.666 1.586 . . . . 0.0 107.098 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.5 t0 . . . . . 0 C--O 1.252 1.194 0 C-N-CA 125.561 1.544 . . . . 0.0 108.97 179.788 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.544 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -73.45 4.93 3.53 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 123.703 2.935 . . . . 0.0 112.319 178.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 23.21 93.78 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.321 1 C-N-CA 132.706 4.402 . . . . 0.0 115.398 178.577 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.88 49.63 73.8 Favored Glycine 0 CA--C 1.523 0.569 0 CA-C-O 119.334 -0.703 . . . . 0.0 114.423 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 p -79.97 -97.3 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.3 m -76.45 118.0 18.68 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 106.881 -1.525 . . . . 0.0 106.881 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -130.58 27.76 4.96 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 127.298 2.239 . . . . 0.0 109.338 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 96.3 m -69.87 56.68 0.14 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.215 2.206 . . . . 0.0 112.577 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.0 t -155.71 147.9 23.57 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.4 mt -52.81 -20.59 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 126.235 1.814 . . . . 0.0 112.063 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.5 m -50.07 -47.41 24.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 118.614 0.643 . . . . 0.0 111.555 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 t -71.81 -37.51 70.35 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -63.94 -49.59 71.98 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 121.359 0.599 . . . . 0.0 109.579 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -62.19 -40.73 97.04 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.403 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.82 -35.58 76.89 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 124.021 0.826 . . . . 0.0 109.555 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -76.8 -34.05 57.97 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.005 -1.06 . . . . 0.0 111.769 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.9 mt -71.05 -51.77 23.38 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.75 0.23 2.05 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.098 1.333 . . . . 0.0 112.258 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 159.88 23.71 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 119.638 1.719 . . . . 0.0 111.918 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.5 p -140.82 -87.11 0.18 Allowed 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.94 0.896 . . . . 0.0 109.505 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -54.14 -31.25 51.88 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.314 0.961 . . . . 0.0 112.483 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.5 m -69.01 -27.91 66.11 Favored 'General case' 0 C--N 1.341 0.221 0 O-C-N 120.928 -1.107 . . . . 0.0 111.796 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.06 -41.68 70.4 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 178.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -60.1 -34.72 73.88 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.082 1.353 . . . . 0.0 110.445 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -69.43 -53.93 16.89 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.49 -42.78 71.14 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 125.234 1.414 . . . . 0.0 113.522 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.7 p -67.48 -52.53 38.13 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.338 1.055 . . . . 0.0 109.592 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.8 m -63.99 -25.24 68.04 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 118.994 -0.527 . . . . 0.0 112.226 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -81.03 -7.06 59.48 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.059 0.944 . . . . 0.0 111.233 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 57.38 33.53 66.14 Favored Glycine 0 C--N 1.336 0.549 0 C-N-CA 126.612 2.053 . . . . 0.0 112.969 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 pp -128.26 20.63 6.27 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.678 1.191 . . . . 0.0 113.479 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -87.21 116.64 25.43 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 121.473 -0.767 . . . . 0.0 110.815 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -156.32 148.02 22.82 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.1 mm -79.3 -53.06 14.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 123.001 1.381 . . . . 0.0 110.783 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -57.21 -30.23 64.39 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 127.315 2.246 . . . . 0.0 111.809 -177.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -80.18 -47.96 13.89 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 117.948 -1.025 . . . . 0.0 109.688 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.8 pt -60.58 -31.3 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 120.426 1.466 . . . . 0.0 110.441 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -57.54 -39.76 77.32 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -94.25 -23.18 17.97 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -76.78 107.41 9.08 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.306 0.957 . . . . 0.0 109.004 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -69.57 172.76 6.87 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.079 0.466 . . . . 0.0 110.305 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.5 mtp -52.28 -37.04 54.42 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -67.44 -34.64 77.61 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.2 -36.37 82.9 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.0 mt -64.34 -41.2 96.9 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.68 92.66 Favored 'General case' 0 C--N 1.34 0.174 0 O-C-N 121.741 -0.599 . . . . 0.0 109.539 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.428 ' C ' ' H ' ' A' ' 49' ' ' LYS . 3.9 t -59.7 -39.98 86.39 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.9 mt -69.94 13.4 0.15 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.315 0.646 . . . . 0.0 111.757 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 47' ' ' SER . 44.7 mmtm 69.73 9.57 7.23 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 129.519 3.128 . . . . 0.0 113.53 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.6 mm -65.07 124.48 86.89 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 123.95 0.9 . . . . 0.0 110.665 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.85 135.79 36.49 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.853 2.369 . . . . 0.0 108.711 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.21 -29.84 15.42 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -178.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -52.42 63.61 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.391 0.996 . . . . 0.0 109.919 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -84.62 -43.49 14.38 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.222 1.009 . . . . 0.0 110.78 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -40.49 68.77 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 119.962 1.255 . . . . 0.0 111.326 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -68.26 -26.2 65.56 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.798 -0.564 . . . . 0.0 109.941 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.56 -49.83 24.38 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 120.385 -1.447 . . . . 0.0 110.646 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.68 -51.17 76.22 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -56.16 -52.65 63.6 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 124.559 1.162 . . . . 0.0 110.05 -178.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -54.08 -42.85 69.8 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.861 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.19 -50.79 61.75 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 118.6 0.636 . . . . 0.0 114.293 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.0 tp -71.09 -40.27 75.26 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.569 0 O-C-N 121.196 -1.179 . . . . 0.0 111.84 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.39 -33.8 74.28 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.45 -32.11 64.17 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.395 1.878 . . . . 0.0 111.43 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -66.51 -54.16 26.93 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.401 ' HG2' ' N ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -70.8 -35.48 72.57 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 118.861 -1.136 . . . . 0.0 110.292 179.763 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.401 ' N ' ' HG2' ' A' ' 66' ' ' ARG . 22.9 tt0 -56.72 -34.23 67.29 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.664 0.603 . . . . 0.0 110.53 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.3 mt -96.93 -19.68 18.64 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 116.794 -1.574 . . . . 0.0 113.636 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -131.58 104.34 6.89 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 120.87 1.668 . . . . 0.0 109.443 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.3 t0 . . . . . 0 C--O 1.251 1.139 0 C-N-CA 127.683 2.393 . . . . 0.0 107.028 179.562 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.543 0 N-CA-C 108.526 -1.83 . . . . 0.0 108.526 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -72.16 -28.58 15.48 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.985 2.457 . . . . 0.0 116.083 -178.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 42.54 32.82 0.39 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.995 1.718 . . . . 0.0 113.952 -178.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.23 -171.41 19.22 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 126.381 1.943 . . . . 0.0 109.776 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -134.71 151.64 51.15 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.598 1.159 . . . . 0.0 110.374 -178.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -148.37 71.8 1.18 Allowed 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.98 -36.42 62.9 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.958 1.303 . . . . 0.0 112.14 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.4 m -145.51 108.27 4.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.261 1.424 . . . . 0.0 107.416 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.9 t -159.54 173.76 15.66 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 126.496 1.918 . . . . 0.0 106.191 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -51.8 -28.19 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 117.388 -1.291 . . . . 0.0 112.721 -179.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 m -51.43 -46.75 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 119.259 0.936 . . . . 0.0 110.93 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 t -62.66 -45.47 92.64 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 123.635 0.774 . . . . 0.0 109.292 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -66.4 -43.66 85.21 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.735 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -63.55 -39.95 95.74 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 120.937 -1.102 . . . . 0.0 111.37 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.29 98.56 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -65.19 -38.11 89.45 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-O 118.818 -0.611 . . . . 0.0 111.104 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.2 mt -65.83 -34.16 77.52 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.779 0.718 . . . . 0.0 109.603 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.81 18.03 33.59 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 125.635 1.588 . . . . 0.0 109.173 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . 0.261 31.4 p -75.72 160.66 29.81 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 118.957 1.378 . . . . 0.0 110.845 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -124.57 -87.69 0.61 Allowed 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.907 -178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.5 p -52.38 -28.62 20.38 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 120.397 1.453 . . . . 0.0 113.22 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.9 m -64.28 -41.42 96.9 Favored 'General case' 0 N--CA 1.442 -0.861 0 O-C-N 121.57 -0.706 . . . . 0.0 110.614 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.06 -37.53 81.4 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 117.082 -1.437 . . . . 0.0 108.671 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -61.73 -51.06 69.91 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 125.411 1.484 . . . . 0.0 110.194 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -59.36 -47.52 85.1 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -55.94 -52.82 62.79 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.8 t -64.47 -39.25 93.45 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 118.794 0.725 . . . . 0.0 110.988 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.6 m -64.11 -29.48 70.6 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 118.78 0.718 . . . . 0.0 109.931 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -84.62 -26.43 27.88 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.88 -1.137 . . . . 0.0 111.449 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.9 38.98 75.6 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 124.73 1.157 . . . . 0.0 112.72 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.25 26.3 5.44 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.64 1.576 . . . . 0.0 111.749 -179.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.8 119.03 24.84 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.52 147.53 22.05 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 177.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.3 mm -79.27 -52.54 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-O 122.782 1.277 . . . . 0.0 109.897 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -56.21 -30.55 62.46 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 126.536 1.934 . . . . 0.0 112.451 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -74.05 -50.29 20.37 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 117.798 -1.096 . . . . 0.0 110.853 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.8 pt -62.47 -19.62 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 119.921 1.237 . . . . 0.0 112.943 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.96 -23.04 65.01 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -114.31 -23.56 9.35 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.839 1.255 . . . . 0.0 112.159 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -81.51 90.75 6.26 Favored 'General case' 0 C--N 1.34 0.176 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 178.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.0 m -70.58 176.79 3.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.631 0.772 . . . . 0.0 110.283 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.3 ptp -48.84 -27.19 2.85 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -69.66 -50.51 43.35 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 119.501 1.046 . . . . 0.0 111.159 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.56 -41.76 92.57 Favored 'General case' 0 CA--C 1.517 -0.292 0 O-C-N 121.499 -0.751 . . . . 0.0 109.367 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.19 -38.72 84.11 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.18 -50.73 71.95 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 t -59.01 -24.8 63.11 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 124.583 1.153 . . . . 0.0 112.233 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.2 mt -81.65 20.08 0.97 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.303 1.041 . . . . 0.0 111.401 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.44 23.94 14.13 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 127.669 2.388 . . . . 0.0 112.337 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.4 mm -84.7 115.58 61.36 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.42 149.06 62.1 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.984 1.789 . . . . 0.0 109.224 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -56.38 -30.65 62.97 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -55.48 -20.37 12.54 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 128.196 2.598 . . . . 0.0 112.214 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -126.0 -44.26 1.78 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.609 1.563 . . . . 0.0 108.711 178.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -47.3 -51.67 18.51 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.413 1.485 . . . . 0.0 112.79 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.94 -32.67 73.11 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.764 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.89 -52.36 44.23 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 119.809 1.186 . . . . 0.0 111.654 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -53.48 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.72 -45.72 81.71 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.051 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -58.82 -40.39 84.01 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.36 -50.9 62.15 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 124.267 0.936 . . . . 0.0 113.001 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.4 tt -73.69 -42.96 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.719 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.307 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.22 -32.51 68.37 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -73.72 -38.41 64.81 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.28 1.432 . . . . 0.0 111.026 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -67.84 -56.87 7.49 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -33.22 74.09 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 118.111 -0.947 . . . . 0.0 109.739 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -69.79 -34.1 73.27 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.993 1.27 . . . . 0.0 110.419 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.2 mt -92.46 -5.7 51.38 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.412 0.685 . . . . 0.0 112.753 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -134.51 -135.46 0.16 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.456 1.503 . . . . 0.0 108.124 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.871 0 C-N-CA 129.926 3.29 . . . . 0.0 105.969 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.511 0 N-CA-C 108.735 -1.746 . . . . 0.0 108.735 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.87 121.7 9.49 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 122.513 2.142 . . . . 0.0 109.383 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -163.71 153.86 15.29 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 126.726 2.01 . . . . 0.0 107.773 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.52 176.49 42.27 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 108.044 -2.023 . . . . 0.0 108.044 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 t -144.05 -177.22 5.34 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.304 1.042 . . . . 0.0 109.757 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.3 t -162.01 153.9 18.99 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 126.866 2.066 . . . . 0.0 106.798 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -62.5 -58.11 8.78 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.007 1.323 . . . . 0.0 108.746 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.3 t -138.07 154.55 49.25 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.254 1.822 . . . . 0.0 109.883 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.7 t 176.08 160.13 0.3 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 128.234 2.614 . . . . 0.0 106.035 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.9 mt -60.33 -21.48 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 124.915 1.286 . . . . 0.0 109.569 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.3 m -49.52 -48.33 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 119.318 0.963 . . . . 0.0 112.172 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.2 t -67.14 -38.59 85.77 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -62.34 -43.8 97.99 Favored 'General case' 0 C--N 1.342 0.257 0 O-C-N 121.546 -0.721 . . . . 0.0 109.246 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -62.86 -36.0 81.84 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 117.521 -1.228 . . . . 0.0 109.874 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.68 91.1 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -74.68 -36.23 62.79 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.811 -0.556 . . . . 0.0 111.549 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.4 mt -70.54 -41.47 72.46 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 121.717 -0.614 . . . . 0.0 111.14 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.2 5.62 21.22 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.982 1.753 . . . . 0.0 110.845 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.9 m -66.52 140.95 58.02 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.157 1.479 . . . . 0.0 108.283 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.4 p -118.9 -83.06 0.65 Allowed 'General case' 0 C--O 1.232 0.159 0 C-N-CA 123.551 0.74 . . . . 0.0 111.611 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.88 -27.78 60.97 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.105 1.362 . . . . 0.0 112.855 -179.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.1 m -71.58 -28.19 63.66 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 118.264 -0.874 . . . . 0.0 112.429 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.6 -41.5 79.48 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -59.64 -44.58 93.45 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.093 1.757 . . . . 0.0 108.962 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -59.53 -51.38 70.08 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -58.39 -50.24 74.39 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.766 1.226 . . . . 0.0 113.5 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.0 p -60.89 -39.71 90.31 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 118.903 0.774 . . . . 0.0 109.578 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.8 m -65.6 -36.79 84.76 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.926 -0.484 . . . . 0.0 109.828 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -75.39 -18.57 59.9 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.02 0.827 . . . . 0.0 112.761 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.43 37.8 86.17 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 123.944 0.783 . . . . 0.0 112.995 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.57 20.72 3.34 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -178.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.5 119.39 25.8 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 119.716 1.144 . . . . 0.0 109.349 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.94 147.06 22.37 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 mt -79.33 -54.37 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 123.512 1.625 . . . . 0.0 111.83 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -59.96 -16.77 32.88 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 127.513 2.325 . . . . 0.0 113.681 -177.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -90.39 -50.33 6.02 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 118.195 -0.907 . . . . 0.0 109.574 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.2 pt -60.72 -26.48 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 119.062 0.846 . . . . 0.0 111.631 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -57.49 -28.13 63.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.624 0.77 . . . . 0.0 110.41 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -114.7 -22.12 9.87 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.282 1.033 . . . . 0.0 112.945 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -73.9 105.83 5.34 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 120.05 1.295 . . . . 0.0 108.705 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 m -71.29 176.5 4.52 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.001 1.72 . . . . 0.0 113.048 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.2 mmt -55.67 -33.41 64.08 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.256 -0.902 . . . . 0.0 112.431 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -46.75 88.51 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 124.218 1.007 . . . . 0.0 109.791 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.51 -41.51 96.36 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 mt -61.97 -44.32 97.0 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.59 96.0 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.1 t -64.44 -38.24 90.34 Favored 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 122.309 -0.244 . . . . 0.0 110.517 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 mt -74.9 20.98 0.12 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.949 1.7 . . . . 0.0 111.931 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.1 tptm 66.15 9.68 6.48 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 126.727 2.011 . . . . 0.0 113.547 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.6 mm -75.5 120.25 80.81 Favored Pre-proline 0 CA--C 1.544 0.745 0 CA-C-N 119.644 1.111 . . . . 0.0 109.726 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -70.57 144.11 48.83 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.763 2.308 . . . . 0.0 109.724 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -51.12 -39.03 55.3 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.975 0.91 . . . . 0.0 113.353 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -55.09 -25.94 34.7 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.826 2.051 . . . . 0.0 113.205 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -119.46 -40.34 2.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.9 0.88 . . . . 0.0 110.69 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -52.86 -38.45 61.53 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 119.736 1.153 . . . . 0.0 110.338 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -62.87 -32.5 73.76 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 118.608 -0.711 . . . . 0.0 110.526 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.33 -51.0 33.38 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 120.013 1.279 . . . . 0.0 110.915 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.9 tt -61.39 -52.9 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -58.17 -55.32 36.52 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 124.067 0.854 . . . . 0.0 112.283 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -55.81 -39.02 70.74 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.276 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.75 -50.88 62.91 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 124.069 0.842 . . . . 0.0 112.754 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.9 tp -68.29 -43.09 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-N 118.127 0.964 . . . . 0.0 110.492 -178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -59.59 -34.07 72.27 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.394 0.616 . . . . 0.0 109.556 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -73.64 -31.33 63.45 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 126.096 1.758 . . . . 0.0 111.03 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -67.71 -54.54 18.55 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -31.22 69.62 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 116.85 -1.94 . . . . 0.0 110.764 178.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -54.4 -47.69 72.46 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 mp -76.37 -55.17 5.8 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 118.355 -0.831 . . . . 0.0 111.497 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . 0.261 68.2 t60 47.65 27.98 1.15 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 128.405 2.682 . . . . 0.0 111.965 -177.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 128.89 2.876 . . . . 0.0 108.291 178.504 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.838 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -74.88 -172.73 1.32 Allowed 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 124.759 3.639 . . . . 0.0 110.18 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -62.44 154.55 28.03 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.35 150.55 13.56 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 -178.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 m -121.85 107.2 12.02 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 121.484 -1.01 . . . . 0.0 111.04 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.6 p -135.27 154.07 51.68 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 126.657 1.983 . . . . 0.0 106.165 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -161.86 149.44 14.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.6 m -134.02 81.57 1.93 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.017 0.527 . . . . 0.0 110.079 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.7 m -123.69 167.02 14.54 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 127.172 2.189 . . . . 0.0 107.373 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -52.27 -31.44 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 119.421 1.01 . . . . 0.0 112.731 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 m -52.46 -49.25 44.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 124.095 0.872 . . . . 0.0 110.634 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.6 m -64.73 -41.74 95.72 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.354 0.662 . . . . 0.0 110.14 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -64.37 -43.99 92.76 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.585 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -63.79 -37.18 86.4 Favored 'General case' 0 C--O 1.238 0.488 0 O-C-N 120.748 -1.22 . . . . 0.0 111.066 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.62 90.76 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -61.48 -40.07 93.22 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.639 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.68 -42.56 99.69 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.692 1.133 . . . . 0.0 109.898 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.88 21.81 10.76 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 125.992 1.758 . . . . 0.0 110.073 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 p -77.25 172.22 13.61 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.021 1.41 . . . . 0.0 111.606 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.9 p -135.12 -87.05 0.37 Allowed 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 124.02 0.928 . . . . 0.0 109.199 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 p -52.97 -29.09 26.91 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.132 1.373 . . . . 0.0 112.381 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.0 m -67.44 -38.38 84.42 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 121.343 -0.848 . . . . 0.0 110.673 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.46 -38.01 77.56 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 117.682 -1.151 . . . . 0.0 108.715 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.5 -50.67 73.01 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 126.659 1.984 . . . . 0.0 109.239 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -63.85 -47.09 82.12 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 118.525 -0.75 . . . . 0.0 109.528 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -54.81 -49.83 70.04 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.659 1.118 . . . . 0.0 111.586 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.0 t -62.25 -38.35 88.92 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.503 1.047 . . . . 0.0 110.003 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.5 m -65.06 -26.4 68.23 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.941 0.897 . . . . 0.0 110.331 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -89.87 -26.69 20.36 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.898 -1.126 . . . . 0.0 110.253 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.04 37.93 83.43 Favored Glycine 0 C--N 1.339 0.697 0 CA-C-N 118.987 0.812 . . . . 0.0 111.762 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 pp -132.16 25.42 4.55 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.628 1.171 . . . . 0.0 112.181 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.95 117.89 24.21 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 -178.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.62 148.59 21.31 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 121.717 -0.614 . . . . 0.0 109.467 178.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.9 mm -77.86 -54.72 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 121.81 0.814 . . . . 0.0 110.96 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -59.62 -12.8 7.4 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 128.077 2.551 . . . . 0.0 113.719 -177.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -97.33 -42.69 7.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 118.096 -0.954 . . . . 0.0 112.244 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.4 pt -63.87 -14.92 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 120.29 1.404 . . . . 0.0 112.57 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -76.24 -25.73 55.31 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.445 0.566 . . . . 0.0 109.673 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -107.28 -22.51 12.57 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 124.167 0.987 . . . . 0.0 111.593 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -80.97 101.26 9.39 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 102.341 -3.207 . . . . 0.0 102.341 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 m -69.79 176.21 3.78 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.388 0.613 . . . . 0.0 112.054 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.7 mtt -52.01 -36.83 51.29 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -70.13 -32.31 70.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.296 0.953 . . . . 0.0 111.249 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.52 -42.48 78.45 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 178.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.33 -31.49 72.12 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.58 -47.88 81.87 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.2 m -59.44 -28.69 67.19 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.405 1.082 . . . . 0.0 111.717 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.9 mt -78.59 12.85 1.84 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.148 0.979 . . . . 0.0 111.473 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.1 48.7 10.26 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 125.953 1.701 . . . . 0.0 110.768 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.0 mm -107.67 118.28 53.56 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -67.64 142.33 58.12 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.307 2.004 . . . . 0.0 108.095 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -48.3 -39.31 21.32 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.179 1.392 . . . . 0.0 114.634 -178.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -54.98 -52.8 61.97 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 125.091 1.356 . . . . 0.0 111.27 -177.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -82.71 -40.1 21.06 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 118.582 -0.723 . . . . 0.0 109.727 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -48.84 -48.36 41.83 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 124.534 1.134 . . . . 0.0 110.404 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -62.91 -25.3 68.26 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 118.701 -0.666 . . . . 0.0 111.157 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.11 -56.45 5.09 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 120.73 1.604 . . . . 0.0 109.717 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 tt -56.83 -54.32 31.09 Favored 'Isoleucine or valine' 0 C--N 1.338 0.1 0 C-N-CA 124.119 0.967 . . . . 0.0 109.862 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -51.28 70.12 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 123.689 0.618 . . . . 0.0 110.822 -177.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -41.21 79.06 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.784 178.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.11 -50.75 64.51 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 124.344 0.974 . . . . 0.0 113.422 -178.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 5.9 tp -73.82 -38.99 51.71 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 CA-C-N 118.471 1.135 . . . . 0.0 112.187 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.95 -32.98 74.7 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -72.72 -39.37 67.0 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.455 1.102 . . . . 0.0 110.631 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -62.13 -55.43 28.92 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.123 1.369 . . . . 0.0 107.852 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -30.79 71.37 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.67 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -71.6 -20.91 61.92 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 117.975 -1.012 . . . . 0.0 113.274 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.0 mt -108.72 -34.11 6.79 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 47.8 t60 38.02 39.66 0.26 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 129.758 3.223 . . . . 0.0 114.062 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 C--O 1.249 1.052 0 C-N-CA 124.535 1.134 . . . . 0.0 107.942 179.13 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.616 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.87 -20.66 34.01 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 123.181 2.587 . . . . 0.0 113.089 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -79.84 176.56 9.62 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.603 1.561 . . . . 0.0 111.179 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.61 175.39 54.88 Favored Glycine 0 CA--C 1.523 0.583 0 CA-C-O 122.141 0.856 . . . . 0.0 112.112 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -147.18 72.68 1.27 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.1 m -140.75 77.59 1.61 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 104.654 -2.35 . . . . 0.0 104.654 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -94.57 -29.18 15.02 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 124.838 1.255 . . . . 0.0 108.237 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.29 144.95 42.92 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 127.791 2.436 . . . . 0.0 105.049 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.7 t -179.33 155.85 0.72 Allowed 'General case' 0 C--O 1.24 0.571 0 C-N-CA 128.054 2.541 . . . . 0.0 104.144 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.8 mt -55.59 -23.82 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-O 118.508 -0.758 . . . . 0.0 111.524 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.1 m -49.85 -48.19 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 119.201 0.91 . . . . 0.0 111.042 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.2 m -65.49 -44.28 87.57 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 124.488 1.115 . . . . 0.0 110.793 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -62.22 -47.72 83.17 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.387 0.613 . . . . 0.0 109.443 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -60.53 -44.9 95.56 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 125.489 1.516 . . . . 0.0 111.076 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.61 -43.61 80.34 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.8 mtp-105 -65.35 -44.9 86.24 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-O 118.444 -0.788 . . . . 0.0 110.431 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.2 mt -62.71 -26.35 68.63 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.982 0.81 . . . . 0.0 110.973 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.36 5.98 45.27 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 125.762 1.649 . . . . 0.0 110.276 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.3 m -68.02 148.26 51.27 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.733 -0.863 . . . . 0.0 109.462 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.5 m -129.87 -87.34 0.52 Allowed 'General case' 0 C--O 1.226 -0.178 0 CA-C-O 117.087 -1.435 . . . . 0.0 110.06 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.9 m -53.23 -28.18 25.94 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 121.276 1.853 . . . . 0.0 114.421 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.6 t -65.55 -33.95 77.11 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.0 0.818 . . . . 0.0 110.147 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -40.58 87.77 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 117.086 -1.435 . . . . 0.0 107.498 179.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -62.79 -40.91 98.79 Favored 'General case' 0 C--O 1.232 0.176 0 O-C-N 124.778 1.299 . . . . 0.0 111.721 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -64.54 -48.68 74.18 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -58.03 -44.56 87.42 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.0 p -66.76 -44.67 80.78 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 123.725 0.81 . . . . 0.0 110.734 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.11 -32.78 74.43 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 118.807 0.73 . . . . 0.0 110.455 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -74.42 -16.77 60.86 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 122.031 -0.418 . . . . 0.0 110.328 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 59.38 39.99 95.49 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 127.666 2.555 . . . . 0.0 113.153 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.8 22.25 5.0 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 124.729 1.212 . . . . 0.0 113.288 -178.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 t -85.81 118.55 25.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.363 0.601 . . . . 0.0 109.401 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.98 146.94 22.21 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.1 mm -79.8 -47.46 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-O 122.429 1.109 . . . . 0.0 110.106 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -57.88 -16.24 11.24 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 129.312 3.045 . . . . 0.0 111.815 -177.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -97.67 -46.36 6.03 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.686 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.5 pt -60.92 -21.55 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 120.429 1.468 . . . . 0.0 112.84 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.58 -27.82 65.44 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.944 1.247 . . . . 0.0 110.129 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -109.0 -23.27 11.77 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 117.949 -1.024 . . . . 0.0 113.674 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -66.26 125.45 25.61 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 119.77 1.168 . . . . 0.0 108.969 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.9 m -93.97 177.05 6.11 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.485 0.66 . . . . 0.0 109.867 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -49.29 -28.02 4.39 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 116.128 1.899 . . . . 0.0 116.128 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.1 -50.28 64.61 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 119.062 0.846 . . . . 0.0 111.086 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.24 -39.97 94.61 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.584 -179.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.0 mt -59.99 -51.18 70.77 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.13 87.28 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.1 t -56.43 -39.27 72.82 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.331 1.452 . . . . 0.0 111.107 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.5 mt -83.79 22.81 1.07 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.968 1.707 . . . . 0.0 113.132 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? 66.93 27.65 8.85 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.998 1.719 . . . . 0.0 113.472 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.4 mm -104.66 91.07 3.84 Favored Pre-proline 0 CA--C 1.545 0.755 0 N-CA-C 105.176 -2.157 . . . . 0.0 105.176 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -76.06 163.07 33.6 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.553 2.168 . . . . 0.0 111.892 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -50.42 -26.76 5.37 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.274 1.43 . . . . 0.0 113.985 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -54.77 -30.94 58.01 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.848 1.659 . . . . 0.0 110.496 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -128.42 -36.28 1.9 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.076 1.351 . . . . 0.0 112.172 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.29 -38.88 28.83 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 126.947 2.099 . . . . 0.0 114.556 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -68.8 -31.04 69.75 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 117.869 -1.063 . . . . 0.0 109.976 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.4 -49.61 32.53 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.625 0.77 . . . . 0.0 111.099 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -52.45 60.97 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -59.76 -47.28 86.32 Favored 'General case' 0 N--CA 1.441 -0.91 0 O-C-N 123.858 0.723 . . . . 0.0 111.022 -177.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -59.94 -39.74 86.57 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 117.424 -1.274 . . . . 0.0 109.754 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.83 -51.98 51.67 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 119.033 0.833 . . . . 0.0 114.428 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.7 tp -69.63 -37.67 74.77 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 O-C-N 121.499 -1.001 . . . . 0.0 111.886 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.418 ' CD1' ' HE ' ' A' ' 66' ' ' ARG . 3.8 mm? -65.42 -31.72 72.96 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 178.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -39.52 75.13 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 118.315 0.507 . . . . 0.0 111.439 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -61.18 -53.17 60.31 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.418 ' HE ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -70.0 -23.14 63.1 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 119.122 -1.031 . . . . 0.0 111.174 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -79.86 -18.14 51.46 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.116 0.871 . . . . 0.0 110.1 179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.1 mt -117.9 -0.05 11.8 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.646 1.178 . . . . 0.0 113.722 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -137.17 -179.2 5.57 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 120.111 1.323 . . . . 0.0 111.368 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 130.281 3.433 . . . . 0.0 105.48 178.941 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.623 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.11 100.7 0.65 Allowed 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.552 2.168 . . . . 0.0 109.737 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.86 -27.86 69.09 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.474 0.71 . . . . 0.0 110.038 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.56 88.87 0.17 Allowed Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.925 1.25 . . . . 0.0 110.104 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 t -80.23 20.4 0.67 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.269 1.428 . . . . 0.0 110.383 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.01 158.62 43.77 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 129.63 3.172 . . . . 0.0 105.704 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -99.41 -94.65 0.25 Allowed 'General case' 0 C--O 1.239 0.54 0 N-CA-C 104.991 -2.226 . . . . 0.0 104.991 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 55.8 m -146.46 -175.79 4.92 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.983 1.713 . . . . 0.0 109.489 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -158.98 153.04 23.54 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 127.226 2.21 . . . . 0.0 105.044 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.68 -18.76 13.23 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.111 0 C-N-CA 124.258 1.023 . . . . 0.0 110.768 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.2 m -51.53 -49.0 34.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 119.254 0.933 . . . . 0.0 110.849 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.4 m -63.74 -41.47 98.02 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.823 1.249 . . . . 0.0 110.595 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -65.41 -49.55 68.8 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.988 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -59.67 -39.82 85.75 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.008 0.923 . . . . 0.0 110.546 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.92 -44.78 87.07 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -66.31 -43.03 87.38 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.913 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.9 mt -62.19 -26.58 68.43 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 118.714 0.688 . . . . 0.0 110.904 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.94 7.97 60.81 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 125.345 1.45 . . . . 0.0 110.287 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.7 p -84.44 132.25 34.58 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-O 118.969 -0.539 . . . . 0.0 109.885 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.2 m -122.14 -48.59 2.1 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 117.418 -1.277 . . . . 0.0 113.225 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -57.37 -36.78 71.67 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 120.862 1.665 . . . . 0.0 110.354 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.7 m -69.98 -34.57 73.52 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.708 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.74 -40.45 88.35 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -59.47 -51.06 71.49 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 124.511 1.124 . . . . 0.0 109.083 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -62.93 -49.42 74.83 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -59.46 -45.16 92.4 Favored 'General case' 0 C--O 1.236 0.375 0 O-C-N 120.93 -1.107 . . . . 0.0 113.068 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.1 p -64.21 -45.27 89.0 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.2 m -62.31 -41.78 98.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 118.259 -0.876 . . . . 0.0 109.775 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -66.72 -27.59 67.75 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 120.349 1.431 . . . . 0.0 109.326 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.16 31.49 54.98 Favored Glycine 0 C--N 1.34 0.773 0 C-N-CA 124.319 0.961 . . . . 0.0 112.889 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.82 27.5 6.01 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.842 1.257 . . . . 0.0 113.243 -177.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.81 118.29 26.11 Favored 'General case' 0 C--O 1.236 0.389 0 O-C-N 121.13 -0.981 . . . . 0.0 109.612 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.36 149.02 23.76 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mt -80.41 -53.56 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-O 122.478 1.132 . . . . 0.0 111.617 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -57.7 -30.74 65.75 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 125.441 1.496 . . . . 0.0 112.246 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -72.85 -52.14 16.02 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 118.645 -0.693 . . . . 0.0 109.703 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.4 pt -63.9 -16.51 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 119.244 0.929 . . . . 0.0 112.555 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -66.89 -27.59 67.63 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -114.21 -22.92 9.72 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-O 117.475 -1.25 . . . . 0.0 112.835 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -71.12 105.51 3.41 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 104.288 -2.486 . . . . 0.0 104.288 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 m -69.85 175.07 4.58 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 122.192 0.996 . . . . 0.0 112.114 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -50.91 -31.77 18.6 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.1 1.36 . . . . 0.0 113.593 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -71.55 -50.44 31.12 Favored 'General case' 0 CA--C 1.526 0.057 0 C-N-CA 125.392 1.477 . . . . 0.0 111.238 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -38.84 85.59 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 mp -58.96 -51.57 69.51 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.24 91.21 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.146 0.43 . . . . 0.0 110.811 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.42 ' C ' ' H ' ' A' ' 49' ' ' LYS . 24.4 t -61.49 -36.0 79.27 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.632 1.573 . . . . 0.0 111.583 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 mt -75.91 27.15 0.11 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.42 1.888 . . . . 0.0 111.829 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 47' ' ' SER . 29.0 mmtp 69.13 -2.75 1.71 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 128.768 2.827 . . . . 0.0 113.278 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.2 mm -65.51 125.1 88.96 Favored Pre-proline 0 CA--C 1.538 0.507 0 O-C-N 121.246 -0.909 . . . . 0.0 111.012 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -69.3 145.24 59.16 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.097 1.865 . . . . 0.0 108.935 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -51.7 -39.98 59.32 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -178.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -62.03 -44.58 96.4 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -82.02 -43.98 17.25 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 118.876 -0.583 . . . . 0.0 109.472 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -38.69 60.27 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.114 0.87 . . . . 0.0 110.298 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -63.24 -38.0 89.44 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.432 0.693 . . . . 0.0 110.442 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.93 -51.37 62.24 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 119.274 0.943 . . . . 0.0 111.105 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.0 tt -61.46 -53.91 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -58.18 -57.26 13.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.075 0.859 . . . . 0.0 110.761 -178.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -57.23 -37.09 71.75 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 119.06 0.845 . . . . 0.0 110.269 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.19 -50.96 61.94 Favored Glycine 0 CA--C 1.524 0.654 0 CA-C-N 118.856 0.753 . . . . 0.0 111.798 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.6 tt -71.86 -40.67 69.12 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.658 0 CA-C-N 118.342 1.071 . . . . 0.0 111.7 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.1 -35.22 73.05 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -73.92 -37.93 64.46 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.807 0.813 . . . . 0.0 111.208 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -63.59 -55.29 24.84 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -30.03 70.96 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 118.887 -0.578 . . . . 0.0 110.045 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -72.8 -21.66 60.95 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.448 1.022 . . . . 0.0 111.978 178.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.5 mt -113.35 -12.44 13.02 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.27 159.25 41.54 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.001 1.72 . . . . 0.0 109.796 -179.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 C--O 1.25 1.103 0 C-N-CA 126.884 2.074 . . . . 0.0 106.185 -179.159 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.89 0 CA-C-O 118.709 -1.051 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -62.72 -59.82 0.22 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.833 2.355 . . . . 0.0 108.229 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -94.17 150.98 19.82 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 104.652 -2.351 . . . . 0.0 104.652 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.71 38.04 0.08 OUTLIER Glycine 0 CA--C 1.525 0.689 0 C-N-CA 124.412 1.006 . . . . 0.0 112.867 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -61.95 -18.66 61.12 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.624 1.212 . . . . 0.0 113.973 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.9 p -109.51 171.02 7.69 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 123.959 0.904 . . . . 0.0 110.471 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -95.36 122.85 38.51 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.686 1.195 . . . . 0.0 108.757 -179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.3 p -144.26 -7.39 0.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.3 m -139.9 149.97 44.02 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 120.882 1.674 . . . . 0.0 109.819 -178.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.6 mt -49.26 -27.62 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 C-N-CA 125.46 1.504 . . . . 0.0 112.129 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 m -49.34 -47.05 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 119.454 1.025 . . . . 0.0 112.618 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 t -69.35 -41.14 76.99 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.423 0.63 . . . . 0.0 110.171 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -62.85 -46.84 86.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.467 0.651 . . . . 0.0 109.874 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -62.16 -37.5 85.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.965 1.306 . . . . 0.0 110.616 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.58 -45.81 88.28 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -62.65 -41.91 99.31 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 118.552 -0.737 . . . . 0.0 111.234 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.2 mt -62.91 -45.69 91.32 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.381 0.991 . . . . 0.0 109.829 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.04 30.88 5.85 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 125.168 1.366 . . . . 0.0 110.427 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.6 p -78.85 168.99 18.92 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.243 1.022 . . . . 0.0 109.262 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.3 m -133.32 -66.64 0.65 Allowed 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.196 0.453 . . . . 0.0 111.276 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.6 m -65.88 -32.9 74.68 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.252 0.549 . . . . 0.0 111.996 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.4 m -64.3 -42.28 96.46 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.059 0.944 . . . . 0.0 112.669 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -35.96 81.25 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 124.522 1.139 . . . . 0.0 110.136 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -63.43 -49.43 73.72 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -56.68 -54.38 46.76 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.942 0.776 . . . . 0.0 109.946 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -54.92 -52.03 64.2 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.1 p -61.17 -51.11 70.42 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.802 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.2 m -62.93 -36.17 82.53 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.306 0.957 . . . . 0.0 111.057 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -69.78 -17.69 63.44 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.19 0.904 . . . . 0.0 111.058 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.85 33.91 85.56 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 125.915 1.721 . . . . 0.0 112.984 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.74 21.67 8.33 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.037 1.335 . . . . 0.0 113.38 -177.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.8 119.21 25.05 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 121.442 -0.786 . . . . 0.0 108.904 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -155.96 146.77 22.09 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 176.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.5 mm -79.44 -50.18 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-O 123.087 1.422 . . . . 0.0 111.326 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -60.1 -30.43 69.25 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.333 1.453 . . . . 0.0 111.531 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -76.2 -43.72 41.09 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 118.292 -0.861 . . . . 0.0 109.63 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.5 pt -64.92 -18.64 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 119.918 1.236 . . . . 0.0 111.999 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -72.38 -18.85 61.7 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -114.87 -24.56 8.6 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.308 0.958 . . . . 0.0 110.708 178.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -74.88 99.03 3.68 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.6 p -72.09 177.84 4.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.801 1.24 . . . . 0.0 112.682 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.8 ptm -53.01 -27.33 18.86 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.139 0.976 . . . . 0.0 113.552 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -75.9 -50.41 15.11 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.228 1.011 . . . . 0.0 111.024 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -34.24 77.28 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.6 mt -68.83 -49.06 61.62 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.58 -38.29 77.58 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.9 t -61.0 -39.46 89.79 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.441 1.496 . . . . 0.0 108.66 178.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.6 mt -71.57 13.01 0.28 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.506 1.522 . . . . 0.0 112.386 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? 73.76 8.54 4.91 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 129.083 2.953 . . . . 0.0 112.16 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.6 mm -70.39 114.34 25.25 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -67.26 145.04 70.85 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 121.388 1.392 . . . . 0.0 108.795 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -51.61 -35.11 40.3 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -58.18 -52.83 63.91 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.26 1.024 . . . . 0.0 109.653 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -76.96 -41.43 43.18 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.547 0.739 . . . . 0.0 110.147 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -48.15 -46.49 34.59 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.623 1.969 . . . . 0.0 111.15 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -62.38 -38.37 89.31 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.265 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.84 -50.04 72.51 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.903 1.229 . . . . 0.0 112.421 -178.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.0 tt -63.2 -54.17 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.648 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -62.3 -51.08 69.1 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 123.685 0.616 . . . . 0.0 112.347 -177.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -58.45 -41.52 85.31 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 117.993 -1.004 . . . . 0.0 109.363 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.04 -50.43 65.48 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 118.701 0.682 . . . . 0.0 112.169 -177.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.59 -42.64 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 CA-C-N 118.19 0.995 . . . . 0.0 111.677 -178.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.4 -34.95 79.11 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 118.937 -1.105 . . . . 0.0 108.674 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -72.04 -38.38 69.52 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.812 -0.555 . . . . 0.0 111.16 -178.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -66.38 -55.99 13.23 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 127.274 2.23 . . . . 0.0 109.193 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -31.05 72.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -75.02 -29.71 60.9 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 118.737 -1.185 . . . . 0.0 111.724 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.8 mt -89.03 -45.98 9.21 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.976 1.262 . . . . 0.0 113.494 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.9 t60 44.21 44.06 6.23 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 127.972 2.509 . . . . 0.0 111.019 -178.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--O 1.246 0.889 0 C-N-CA 126.753 2.021 . . . . 0.0 112.31 -179.454 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.05 0 CA-C-O 118.765 -1.02 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -68.52 100.1 0.66 Allowed 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 123.933 3.089 . . . . 0.0 109.077 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -136.96 88.57 2.37 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 124.583 1.153 . . . . 0.0 108.788 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.91 98.16 0.12 Allowed Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m -149.28 172.78 14.32 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.91 1.684 . . . . 0.0 106.847 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.62 87.17 2.39 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 123.779 0.832 . . . . 0.0 108.863 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -162.17 136.66 6.8 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 126.422 1.889 . . . . 0.0 107.297 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 66.0 m -67.66 131.69 46.07 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.8 m -151.84 165.92 33.03 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.077 1.351 . . . . 0.0 107.675 179.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.31 -25.52 13.9 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 CA-C-O 117.253 -1.356 . . . . 0.0 113.349 -178.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 m -56.06 -45.6 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 120.051 1.296 . . . . 0.0 110.244 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 t -67.5 -41.08 85.05 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.285 0.634 . . . . 0.0 109.68 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -62.46 -48.14 80.95 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.7 m-30 -60.71 -39.04 87.09 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 117.853 -1.07 . . . . 0.0 110.715 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.9 -37.43 84.59 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 118.533 0.606 . . . . 0.0 109.626 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.6 mtm105 -75.3 -38.08 60.49 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.046 0.384 . . . . 0.0 110.379 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.7 mt -64.01 -41.15 97.55 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.3 6.3 20.28 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 125.928 1.728 . . . . 0.0 111.756 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.2 m -59.4 158.7 9.04 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.037 1.419 . . . . 0.0 111.018 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.0 t -133.06 -90.1 0.4 Allowed 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.85 -32.42 44.57 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.172 1.789 . . . . 0.0 113.102 -178.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.5 m -68.49 -26.85 65.67 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.25 -0.906 . . . . 0.0 111.824 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.83 -43.1 76.19 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.65 -45.61 88.95 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 126.105 1.762 . . . . 0.0 110.512 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -61.47 -53.99 49.26 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.72 -49.26 73.52 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.3 p -64.52 -39.02 93.01 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.036 0.934 . . . . 0.0 111.144 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.9 m -67.73 -37.39 82.12 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -74.58 -20.02 60.09 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.761 0.71 . . . . 0.0 110.24 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.69 35.33 91.88 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 127.132 2.301 . . . . 0.0 113.861 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.87 18.76 10.18 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.527 1.531 . . . . 0.0 113.248 -178.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.17 119.32 24.87 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.53 149.38 25.39 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.2 mt -79.14 -56.04 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 122.543 1.163 . . . . 0.0 112.634 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -62.59 -25.97 68.36 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 125.964 1.705 . . . . 0.0 113.611 -177.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -76.47 -53.75 7.68 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.5 pt -62.95 -14.26 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 118.788 0.722 . . . . 0.0 112.629 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -76.4 -20.11 57.46 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.993 0.917 . . . . 0.0 109.8 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -115.07 -23.06 9.21 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.823 1.649 . . . . 0.0 111.382 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -79.11 100.77 7.54 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 103.546 -2.761 . . . . 0.0 103.546 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.3 m -64.18 175.05 1.36 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.527 1.131 . . . . 0.0 112.183 -179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 60.9 mtm -59.91 -28.75 67.86 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 120.883 -1.136 . . . . 0.0 110.74 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.15 -43.16 99.32 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.703 0.801 . . . . 0.0 109.288 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.15 -51.57 63.21 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 124.108 0.963 . . . . 0.0 109.024 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.7 mt -55.93 -45.73 78.67 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 123.786 0.834 . . . . 0.0 110.614 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.53 98.79 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 t -64.27 -29.08 70.18 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.591 -0.693 . . . . 0.0 110.51 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 mt -80.97 13.1 2.87 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.829 2.052 . . . . 0.0 111.35 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? 68.1 16.37 9.46 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 127.098 2.159 . . . . 0.0 112.675 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.9 mm -73.39 122.34 87.38 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -66.54 135.36 38.82 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.324 2.682 . . . . 0.0 110.893 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -41.22 -45.82 2.97 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.367 1.867 . . . . 0.0 115.149 -177.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -55.66 -51.39 67.42 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.97 0.908 . . . . 0.0 112.613 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -81.62 -43.9 17.97 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.12 0.968 . . . . 0.0 109.641 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.8 tmm_? -48.14 -53.43 16.75 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 126.756 2.022 . . . . 0.0 109.93 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -65.39 -30.67 71.51 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.318 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.81 -51.45 55.46 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 119.751 1.16 . . . . 0.0 111.485 -179.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.13 -52.36 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -55.97 -50.9 69.51 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 110.183 -178.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -57.15 -39.41 75.18 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 117.432 -1.271 . . . . 0.0 109.241 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.81 -51.18 59.02 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-N 119.692 1.133 . . . . 0.0 114.459 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.3 tt -70.79 -41.35 77.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-N 118.733 1.267 . . . . 0.0 110.552 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.68 -35.49 74.56 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.35 -31.52 64.01 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 125.616 1.566 . . . . 0.0 111.293 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -67.2 -50.22 61.72 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -37.26 78.4 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 117.915 -1.514 . . . . 0.0 108.917 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -67.34 -19.7 65.48 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 124.266 0.979 . . . . 0.0 111.86 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.72 -34.23 14.01 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.662 1.119 . . . . 0.0 108.607 177.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -80.23 -179.91 7.32 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.653 1.181 . . . . 0.0 108.119 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 . . . . . 0 C--O 1.249 1.027 0 C-N-CA 125.796 1.638 . . . . 0.0 106.908 178.68 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.602 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.86 114.9 4.14 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 122.324 2.016 . . . . 0.0 107.647 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.1 mp -97.79 -178.63 4.16 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.2 -81.23 0.04 OUTLIER Glycine 0 C--N 1.332 0.344 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 m 52.29 57.08 6.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.244 0.618 . . . . 0.0 111.108 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.67 -0.3 23.76 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.107 0.963 . . . . 0.0 110.614 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -68.76 130.24 42.26 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.358 1.463 . . . . 0.0 114.0 -178.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 91.3 m -79.36 96.45 6.0 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.7 m -165.28 171.85 13.07 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 126.436 1.894 . . . . 0.0 109.364 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.63 -28.43 36.85 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.333 178.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 m -52.92 -43.08 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 CA-C-N 118.922 0.783 . . . . 0.0 111.084 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -64.08 -41.28 97.37 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.856 0.462 . . . . 0.0 109.837 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -68.45 -48.81 63.58 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -60.04 -39.74 86.95 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 121.1 -1.0 . . . . 0.0 109.458 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.51 -38.18 88.94 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -64.23 -45.1 89.69 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.379 0.991 . . . . 0.0 108.48 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.2 mt -66.18 -23.98 66.55 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.059 0.845 . . . . 0.0 111.125 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.22 38.67 7.69 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 108.393 -1.883 . . . . 0.0 108.393 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.1 m -73.47 161.02 30.86 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.083 0.942 . . . . 0.0 110.761 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.4 t -127.8 -101.38 0.34 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 m -52.57 -29.92 28.1 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.56 1.544 . . . . 0.0 114.052 -178.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.3 m -62.58 -36.04 81.42 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.07 0.395 . . . . 0.0 111.071 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -38.82 82.19 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.091 0.956 . . . . 0.0 108.881 -179.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -63.85 -50.84 67.26 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.904 1.682 . . . . 0.0 108.803 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -56.88 -48.81 77.3 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.565 0.62 . . . . 0.0 109.479 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.29 -45.4 91.36 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.5 t -72.02 -34.53 68.91 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 118.307 0.503 . . . . 0.0 110.533 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.4 -36.95 84.14 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.378 0.99 . . . . 0.0 109.197 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -76.82 -27.19 55.09 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 118.774 -0.631 . . . . 0.0 111.952 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.02 37.85 49.12 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 123.89 0.757 . . . . 0.0 112.69 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.67 28.67 2.67 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.895 1.278 . . . . 0.0 112.457 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . 0.273 3.6 t -84.8 116.68 23.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 120.914 -1.116 . . . . 0.0 109.98 -177.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.09 147.73 21.43 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 121.398 -0.813 . . . . 0.0 111.408 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 mt -79.91 -51.52 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 122.62 1.2 . . . . 0.0 109.761 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -56.67 -27.35 58.53 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 126.676 1.99 . . . . 0.0 111.953 -177.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -82.18 -51.14 8.25 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 117.71 -1.138 . . . . 0.0 110.459 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.401 ' HA ' ' HB2' ' A' ' 40' ' ' TYR . 44.7 pt -60.72 -23.31 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 119.592 1.087 . . . . 0.0 110.831 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.03 -29.81 65.63 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.434 1.094 . . . . 0.0 109.252 178.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -114.73 -23.11 9.36 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.999 0.919 . . . . 0.0 112.637 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.401 ' HB2' ' HA ' ' A' ' 37' ' ' ILE . 8.6 m-85 -73.74 105.7 5.16 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 105.669 -1.974 . . . . 0.0 105.669 177.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 m -74.05 177.29 5.79 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.445 -0.785 . . . . 0.0 109.744 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -51.5 -22.23 3.0 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -68.6 -48.37 64.32 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.941 1.246 . . . . 0.0 109.626 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -46.15 89.08 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.7 mp -56.95 -43.24 81.35 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.86 -48.3 81.16 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.694 -1.254 . . . . 0.0 109.915 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.0 m -65.48 -20.55 66.4 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.394 -0.816 . . . . 0.0 112.258 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.1 mt -89.16 15.8 8.25 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.253 1.421 . . . . 0.0 111.592 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 71.11 25.65 3.63 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 127.139 2.176 . . . . 0.0 112.401 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.8 mm -100.12 98.65 7.91 Favored Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 105.606 -1.998 . . . . 0.0 105.606 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.55 158.18 44.09 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.173 2.582 . . . . 0.0 110.888 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -37.39 12.08 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.031 1.333 . . . . 0.0 113.438 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -54.53 -24.25 19.97 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.852 2.061 . . . . 0.0 113.322 -178.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -127.83 -40.65 1.7 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.337 1.055 . . . . 0.0 109.989 178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -47.33 -40.72 17.81 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 126.638 1.975 . . . . 0.0 111.658 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -64.16 -31.4 72.58 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 117.496 -1.24 . . . . 0.0 110.767 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.16 -48.85 31.88 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 120.049 1.295 . . . . 0.0 111.479 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 tt -60.66 -52.84 56.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -62.62 -56.13 20.65 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 123.725 0.641 . . . . 0.0 110.557 -177.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -57.87 -40.54 80.44 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 118.465 -0.779 . . . . 0.0 110.847 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.3 -49.25 80.67 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 119.329 0.968 . . . . 0.0 112.971 -178.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.76 -41.03 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 122.062 -0.669 . . . . 0.0 109.275 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.22 -32.59 73.28 Favored 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -72.03 -37.17 69.78 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.31 1.044 . . . . 0.0 109.458 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -67.36 -56.98 7.48 Favored 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 125.025 1.33 . . . . 0.0 109.347 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.62 -31.48 72.33 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 123.594 0.559 . . . . 0.0 110.491 -179.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -72.1 -38.66 69.29 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 118.536 0.607 . . . . 0.0 110.276 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.5 mt -93.46 -3.72 52.54 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -160.17 116.78 2.46 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.374 1.07 . . . . 0.0 109.175 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 C--O 1.246 0.872 0 C-N-CA 125.197 1.399 . . . . 0.0 107.49 179.387 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 C--O 1.235 0.33 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.42 HG22 ' CD2' ' A' ' 14' ' ' PHE . 25.3 mt -60.74 -23.09 27.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 123.96 0.904 . . . . 0.0 109.875 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.2 m -48.54 -52.5 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 119.184 0.902 . . . . 0.0 110.836 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.4 t -65.28 -34.74 79.07 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 122.293 1.044 . . . . 0.0 111.494 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -69.23 -38.49 78.54 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 122.876 1.322 . . . . 0.0 110.597 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.42 ' CD2' HG22 ' A' ' 10' ' ' ILE . 3.6 m-30 -72.68 -38.72 67.51 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 120.316 -1.49 . . . . 0.0 108.762 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.0 -50.2 71.53 Favored 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 124.198 0.936 . . . . 0.0 108.5 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -63.25 -47.93 80.37 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.8 mt -61.66 -32.75 72.94 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.347 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.67 4.32 34.42 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 125.286 1.422 . . . . 0.0 109.898 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.6 m -66.78 127.27 31.83 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.8 t -110.66 -85.13 0.55 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.135 0.974 . . . . 0.0 111.266 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 m -52.27 -32.46 37.42 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.898 1.226 . . . . 0.0 113.736 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.3 m -66.56 -30.92 71.34 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.57 -0.706 . . . . 0.0 111.6 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.24 -39.23 65.64 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -58.76 -50.29 74.46 Favored 'General case' 0 CA--C 1.516 -0.339 0 O-C-N 125.05 1.469 . . . . 0.0 108.039 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -58.07 -50.64 72.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -51.65 67.27 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.8 t -66.26 -34.9 79.04 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.549 0.613 . . . . 0.0 110.095 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.6 m -65.61 -43.3 90.04 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -66.67 -27.56 67.76 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.275 0.943 . . . . 0.0 108.904 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.75 21.02 64.56 Favored Glycine 0 C--N 1.342 0.883 0 C-N-CA 124.527 1.061 . . . . 0.0 113.553 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.18 28.77 8.17 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.461 1.905 . . . . 0.0 112.358 -178.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 t -89.08 119.29 29.46 Favored 'General case' 0 CA--C 1.519 -0.217 0 O-C-N 120.234 -1.541 . . . . 0.0 108.647 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.454 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -156.26 148.23 23.12 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 178.666 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -79.03 -54.22 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 122.039 0.923 . . . . 0.0 112.473 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -62.23 -24.59 67.33 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.639 0.776 . . . . 0.0 111.997 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.454 ' HB2' HG23 ' A' ' 33' ' ' THR . 70.2 mm-40 -75.75 -48.27 22.49 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 118.165 -0.921 . . . . 0.0 109.892 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.6 pt -60.78 -25.15 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 120.385 1.448 . . . . 0.0 111.551 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -69.32 -19.1 63.88 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.23 1.012 . . . . 0.0 110.037 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.94 -22.98 9.83 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.387 1.475 . . . . 0.0 111.087 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -86.46 96.78 10.16 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.11 1.364 . . . . 0.0 108.352 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.56 173.97 3.07 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.592 1.157 . . . . 0.0 111.018 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -49.01 -27.57 3.29 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.591 1.957 . . . . 0.0 114.334 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.5 -43.3 49.8 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.625 0.77 . . . . 0.0 112.701 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -45.07 91.2 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.1 mt -58.72 -44.37 90.4 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.657 1.183 . . . . 0.0 108.368 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.33 94.35 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.5 m -67.0 -16.27 64.26 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.184 0.593 . . . . 0.0 112.146 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.74 7.81 13.93 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.593 1.157 . . . . 0.0 108.829 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? 71.92 27.01 2.83 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 127.452 2.301 . . . . 0.0 110.861 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.2 mm -91.51 117.81 68.02 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.6 148.09 41.57 Favored 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 123.38 2.72 . . . . 0.0 112.2 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -36.39 17.27 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.185 2.194 . . . . 0.0 113.191 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -55.15 -28.17 50.89 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.707 0.803 . . . . 0.0 112.26 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -117.57 -43.96 2.78 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.931 0.892 . . . . 0.0 109.934 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -44.94 -54.99 5.89 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.98 2.112 . . . . 0.0 113.938 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -65.95 -30.01 70.51 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 119.067 -1.053 . . . . 0.0 110.705 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.77 -49.38 59.11 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 119.399 1.0 . . . . 0.0 109.592 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.3 tt -54.7 -50.0 63.66 Favored 'Isoleucine or valine' 0 C--O 1.244 0.768 0 CA-C-N 119.711 1.141 . . . . 0.0 110.048 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -64.79 -46.17 83.18 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 113.953 -1.476 . . . . 0.0 110.303 -178.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -59.57 -42.0 91.45 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 116.906 -1.521 . . . . 0.0 110.583 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.86 -50.74 62.78 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 119.441 1.019 . . . . 0.0 111.754 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.3 tp -69.3 -42.92 81.49 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.98 -32.52 74.09 Favored 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.5 -36.88 71.26 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -65.83 -56.33 12.44 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 123.403 0.681 . . . . 0.0 109.261 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -64.07 -25.41 68.1 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.325 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -76.7 -40.27 49.33 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.307 0.958 . . . . 0.0 110.012 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.8 mt . . . . . 0 C--O 1.236 0.355 0 CA-C-O 117.807 -1.092 . . . . 0.0 113.528 -179.477 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 mm -52.63 -29.72 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 117.617 -1.183 . . . . 0.0 112.756 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.5 m -50.35 -47.79 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 O-C-N 124.126 0.891 . . . . 0.0 110.877 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 t -60.75 -41.39 95.33 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.546 1.138 . . . . 0.0 110.243 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -66.79 -51.83 51.12 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.663 0.785 . . . . 0.0 110.438 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.54 -41.66 97.67 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.754 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.9 -48.69 80.68 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -62.57 -47.32 84.36 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.468 -0.77 . . . . 0.0 111.728 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.89 -31.0 72.03 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.166 0.439 . . . . 0.0 110.778 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.24 21.26 23.08 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 125.113 1.339 . . . . 0.0 110.174 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 39.3 m -60.98 143.64 54.86 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.151 0.975 . . . . 0.0 109.681 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.6 t -110.94 -111.75 0.33 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.463 1.105 . . . . 0.0 109.287 -179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 m -52.15 -21.41 3.28 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.073 1.749 . . . . 0.0 114.952 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 57.1 m -65.14 -30.32 71.24 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.293 -0.879 . . . . 0.0 109.666 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.37 -42.63 87.68 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 178.109 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -58.02 -44.59 87.4 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 126.573 1.949 . . . . 0.0 109.562 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 -63.14 -51.98 64.34 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.42 ' HB3' HG22 ' A' ' 32' ' ' THR . 1.1 m-85 -55.13 -50.16 69.97 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.0 t -60.55 -38.5 84.69 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.026 0.83 . . . . 0.0 109.319 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.0 m -63.75 -31.39 72.55 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.332 -0.855 . . . . 0.0 109.707 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -80.78 -24.47 38.58 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 120.901 -1.124 . . . . 0.0 110.314 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.64 39.73 97.87 Favored Glycine 0 C--N 1.342 0.87 0 CA-C-N 119.702 1.137 . . . . 0.0 112.294 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 pp -141.9 34.74 1.57 Allowed 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.779 1.232 . . . . 0.0 111.796 -178.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.42 HG22 ' HB3' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -84.24 117.52 23.58 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 -179.719 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.411 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -156.7 147.78 22.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.803 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 mt -79.61 -51.74 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 122.345 1.069 . . . . 0.0 111.762 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -56.0 -23.6 33.79 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 126.462 1.905 . . . . 0.0 111.936 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HB2' HG23 ' A' ' 33' ' ' THR . 46.3 mm-40 -86.76 -43.33 12.62 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 117.803 -1.094 . . . . 0.0 110.673 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.8 pt -62.48 -23.48 32.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 120.04 1.291 . . . . 0.0 110.771 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.4 -17.2 63.64 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.544 1.066 . . . . 0.0 110.222 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -114.83 -22.35 9.69 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.642 1.177 . . . . 0.0 113.285 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -76.41 151.66 36.48 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -114.01 175.12 5.61 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 123.778 0.831 . . . . 0.0 110.867 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.5 ptp -49.66 -31.1 10.25 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.55 1.54 . . . . 0.0 113.163 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.62 -41.65 92.44 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 126.35 1.86 . . . . 0.0 111.814 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.68 -43.24 48.37 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.7 mt -55.23 -41.0 71.51 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.35 -46.42 83.55 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.3 t -56.81 -43.41 80.94 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.054 0.942 . . . . 0.0 110.168 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.7 mt -76.55 29.22 0.12 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.691 1.996 . . . . 0.0 112.043 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt 65.27 11.14 7.03 Favored 'General case' 0 N--CA 1.46 0.056 0 C-N-CA 127.738 2.415 . . . . 0.0 116.17 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.3 mt -84.66 104.78 4.98 Favored Pre-proline 0 CA--C 1.549 0.908 0 CA-C-N 120.955 1.707 . . . . 0.0 111.527 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -78.28 159.62 29.59 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.883 2.389 . . . . 0.0 110.815 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.414 ' HA ' ' HB3' ' A' ' 55' ' ' ARG . 1.2 pm0 -55.85 -27.23 50.55 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -58.3 -23.14 55.44 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.836 0.744 . . . . 0.0 111.918 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -128.21 -32.97 2.2 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.045 1.338 . . . . 0.0 111.907 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.414 ' HB3' ' HA ' ' A' ' 52' ' ' GLU . 49.1 ttp180 -51.63 -38.24 53.81 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 126.026 1.731 . . . . 0.0 111.105 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -64.57 -33.81 76.78 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-O 118.81 -0.614 . . . . 0.0 110.331 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.56 -51.18 59.27 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 119.618 1.099 . . . . 0.0 111.891 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.8 tt -61.2 -53.88 42.85 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 123.48 0.712 . . . . 0.0 109.502 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -59.32 -56.85 16.86 Favored 'General case' 0 N--CA 1.441 -0.894 0 O-C-N 124.353 1.033 . . . . 0.0 110.871 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -57.51 -39.39 76.41 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 118.785 -0.626 . . . . 0.0 110.824 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.89 -50.36 68.4 Favored Glycine 0 CA--C 1.523 0.589 0 CA-C-N 119.407 1.003 . . . . 0.0 112.339 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 5.6 tp -74.15 -39.02 49.64 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.636 0 CA-C-O 119.089 -0.482 . . . . 0.0 111.888 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.46 -32.64 74.15 Favored 'General case' 0 C--O 1.223 -0.299 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -72.33 -40.38 67.48 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -63.55 -56.86 12.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.688 1.195 . . . . 0.0 108.738 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -26.6 68.74 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 118.687 -0.673 . . . . 0.0 110.564 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -78.62 -21.83 47.89 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.249 0.931 . . . . 0.0 110.827 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -178.669 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.9 m . . . . . 0 C--O 1.236 0.392 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.457 HD11 ' CD1' ' A' ' 37' ' ' ILE . 7.0 mm -52.16 -27.68 10.1 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 C-N-CA 124.58 1.152 . . . . 0.0 114.109 -178.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -53.47 -45.64 58.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 118.345 0.521 . . . . 0.0 110.315 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -74.41 -35.42 63.42 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 124.114 0.966 . . . . 0.0 110.966 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -63.24 -48.51 77.93 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.625 ' HE2' HD13 ' A' ' 58' ' ' ILE . 4.1 m-30 -61.76 -35.83 79.26 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.38 97.46 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -68.77 -44.25 74.08 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.861 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.98 -39.16 93.87 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.6 11.3 17.54 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 125.673 1.606 . . . . 0.0 112.213 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 t -57.32 159.08 4.91 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.862 1.331 . . . . 0.0 111.864 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.3 t -125.5 -105.45 0.34 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.702 1.201 . . . . 0.0 109.048 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.8 m -52.25 -28.08 17.39 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 116.585 2.069 . . . . 0.0 116.585 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.3 m -72.04 -24.14 61.49 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 120.173 1.351 . . . . 0.0 111.51 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -41.49 67.93 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 177.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.56 -45.99 90.41 Favored 'General case' 0 CA--C 1.515 -0.372 0 O-C-N 123.616 0.572 . . . . 0.0 110.185 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -56.1 -47.61 77.74 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -57.55 -50.71 72.19 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.268 0.485 . . . . 0.0 111.0 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.9 p -61.38 -45.3 94.94 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.264 0.938 . . . . 0.0 111.231 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.5 m -62.96 -28.95 70.44 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.938 1.695 . . . . 0.0 110.301 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -84.95 -23.35 28.83 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.09 0.956 . . . . 0.0 111.824 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.14 40.53 71.71 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.929 1.252 . . . . 0.0 113.071 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.03 23.66 4.2 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.099 1.759 . . . . 0.0 113.167 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.74 118.37 23.86 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 120.964 -1.085 . . . . 0.0 109.123 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.98 146.74 22.03 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 177.302 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.2 mm -79.13 -55.6 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-O 122.803 1.287 . . . . 0.0 112.065 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -59.25 -20.27 52.74 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 126.441 1.896 . . . . 0.0 113.106 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -85.33 -42.33 14.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 118.566 -0.731 . . . . 0.0 112.616 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.457 ' CD1' HD11 ' A' ' 10' ' ' ILE . 16.2 pt -62.34 -19.36 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 119.69 1.132 . . . . 0.0 111.058 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -75.98 -12.06 60.07 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 118.985 0.811 . . . . 0.0 112.205 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -114.04 -23.58 9.47 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.803 0.841 . . . . 0.0 110.302 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -79.25 96.12 5.84 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.506 1.122 . . . . 0.0 108.248 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.2 m -67.16 173.98 3.47 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 122.422 1.106 . . . . 0.0 110.734 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 77.4 mtm -55.25 -31.05 61.23 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.393 1.077 . . . . 0.0 113.073 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -61.33 -50.33 73.4 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 118.912 0.778 . . . . 0.0 110.369 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -41.69 88.77 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 122.729 0.412 . . . . 0.0 109.97 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.6 mt -58.92 -51.22 70.99 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.83 -32.13 72.43 Favored 'General case' 0 C--O 1.238 0.474 0 O-C-N 121.223 -0.923 . . . . 0.0 112.081 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.5 t -67.81 -39.73 83.93 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.552 1.541 . . . . 0.0 109.748 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.2 mt -70.76 23.85 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 128.394 2.678 . . . . 0.0 113.536 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm 67.36 10.15 7.52 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 128.839 2.856 . . . . 0.0 112.949 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.2 mm -73.46 122.15 86.91 Favored Pre-proline 0 C--O 1.238 0.481 0 C-N-CA 124.321 1.048 . . . . 0.0 109.431 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.17 147.56 54.18 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 N-CA-C 107.583 -1.737 . . . . 0.0 107.583 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -51.56 -39.66 58.25 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 124.701 1.2 . . . . 0.0 113.996 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -56.41 -53.24 59.72 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.957 1.303 . . . . 0.0 112.234 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -76.38 -43.77 39.18 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.9 ttp85 -48.55 -47.18 39.58 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.32 1.048 . . . . 0.0 111.109 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -61.24 -35.53 77.51 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.351 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.59 -44.45 64.44 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 119.326 0.967 . . . . 0.0 112.219 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.625 HD13 ' HE2' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -64.44 -51.65 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 CA-C-N 118.941 0.792 . . . . 0.0 108.969 179.796 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -58.24 -44.57 88.34 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.172 -178.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -62.33 -40.64 97.0 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.379 178.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.13 -50.82 63.76 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 119.87 1.214 . . . . 0.0 112.288 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.9 tp -70.43 -41.74 78.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 118.658 -0.687 . . . . 0.0 112.134 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.97 -32.44 72.89 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -71.32 -39.41 71.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.258 0.552 . . . . 0.0 110.015 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -68.32 -52.63 31.31 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.486 1.115 . . . . 0.0 111.047 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -31.1 72.17 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 118.099 -0.953 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -77.27 -30.51 54.35 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 118.361 -1.335 . . . . 0.0 111.402 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.332 -0.156 0 C-N-CA 124.4 1.08 . . . . 0.0 111.242 179.371 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.448 -0.569 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 32' ' ' THR . 54.2 mt -58.33 -22.02 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 125.109 1.364 . . . . 0.0 110.356 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.2 m -48.89 -48.38 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.061 0.846 . . . . 0.0 112.453 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 t -65.05 -41.71 94.94 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 125.135 1.374 . . . . 0.0 109.888 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -61.8 -47.29 85.8 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.416 ' HZ ' HD12 ' A' ' 58' ' ' ILE . 6.7 m-30 -64.09 -36.38 83.84 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.69 1.196 . . . . 0.0 109.679 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.15 -35.44 80.29 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -71.9 -48.84 42.8 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.4 mt -62.96 -36.25 82.83 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.889 0.875 . . . . 0.0 112.612 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.68 15.69 14.58 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 125.757 1.646 . . . . 0.0 110.913 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -81.61 104.46 12.04 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.952 1.376 . . . . 0.0 107.676 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.2 m -84.13 -82.77 0.16 Allowed 'General case' 0 C--O 1.234 0.244 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -23.11 22.95 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.277 1.031 . . . . 0.0 113.681 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.3 m -66.48 -33.93 76.8 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 120.983 -1.073 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 pp -71.19 -35.95 71.76 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -61.43 -45.09 95.77 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 123.965 0.906 . . . . 0.0 109.576 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -59.18 -49.84 76.32 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -59.75 -53.39 58.55 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.403 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.0 p -52.64 -41.11 63.46 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 120.986 1.721 . . . . 0.0 111.463 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.1 m -65.99 -39.31 90.2 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.056 0.844 . . . . 0.0 110.133 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -68.95 -14.58 63.12 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 120.381 1.446 . . . . 0.0 111.321 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.89 31.11 77.22 Favored Glycine 0 C--N 1.342 0.862 0 C-N-CA 124.963 1.268 . . . . 0.0 113.421 178.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 pp -126.92 22.13 6.79 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.806 1.242 . . . . 0.0 113.446 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.497 ' HA ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -84.89 118.35 24.46 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 179.406 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -156.67 148.13 22.42 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.446 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.4 mt -78.74 -54.96 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 122.134 0.968 . . . . 0.0 111.009 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.85 -25.92 61.34 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 126.772 2.029 . . . . 0.0 112.953 -177.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.483 ' HB2' HG23 ' A' ' 33' ' ' THR . 31.6 mm-40 -79.27 -53.65 6.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 118.3 -0.857 . . . . 0.0 109.703 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.2 pt -60.44 -25.88 35.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-N 119.008 0.822 . . . . 0.0 110.414 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.71 -27.21 69.1 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.03 0.832 . . . . 0.0 110.973 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -111.53 -22.06 11.44 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.017 0.927 . . . . 0.0 113.007 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -77.78 115.62 17.67 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.8 m -70.43 164.97 23.5 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.63 -0.669 . . . . 0.0 109.955 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.0 ptm -54.58 -26.85 34.95 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.34 -45.36 94.76 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 125.687 1.595 . . . . 0.0 109.769 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -42.53 89.01 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 124.723 1.209 . . . . 0.0 109.695 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.6 mp -60.01 -42.71 94.92 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.68 92.08 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.254 -0.904 . . . . 0.0 108.778 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 72.8 m -65.95 -21.12 66.41 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.232 -0.918 . . . . 0.0 110.617 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.2 mt -91.3 19.38 6.04 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.074 1.35 . . . . 0.0 109.824 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt 67.87 13.47 9.19 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 128.586 2.755 . . . . 0.0 114.143 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.1 mm -72.85 120.9 83.38 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.02 138.53 37.2 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.23 2.62 . . . . 0.0 109.763 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.04 -43.99 3.41 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 127.83 2.452 . . . . 0.0 113.733 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -54.46 -49.94 68.87 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 123.91 0.884 . . . . 0.0 111.603 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -87.34 -40.5 14.39 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.24 0.616 . . . . 0.0 111.085 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -48.67 -41.81 32.61 Favored 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 126.357 1.863 . . . . 0.0 110.291 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -62.78 -38.0 88.91 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 118.629 -0.7 . . . . 0.0 111.045 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.22 -45.29 73.71 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 119.474 1.034 . . . . 0.0 111.865 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.416 HD12 ' HZ ' ' A' ' 14' ' ' PHE . 1.8 tt -61.87 -49.85 82.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 O-C-N 121.321 -0.862 . . . . 0.0 109.198 179.002 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -61.3 -56.7 17.54 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 124.44 1.088 . . . . 0.0 110.919 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -57.37 -44.99 84.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 118.462 -0.78 . . . . 0.0 110.55 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.39 -50.23 57.33 Favored Glycine 0 C--N 1.335 0.474 0 CA-C-N 118.819 0.736 . . . . 0.0 112.295 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -75.01 -39.8 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-O 118.842 -0.599 . . . . 0.0 112.023 -178.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.89 -34.45 77.98 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 119.734 -0.786 . . . . 0.0 108.939 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.87 -35.32 64.71 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -62.86 -56.85 13.66 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -30.31 71.4 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-O 119.114 -0.469 . . . . 0.0 110.493 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -67.32 -31.69 72.15 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 119.553 -0.859 . . . . 0.0 109.47 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 86.4 mt . . . . . 0 CA--C 1.537 0.46 0 N-CA-C 114.868 1.432 . . . . 0.0 114.868 -178.868 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.7 m . . . . . 0 C--O 1.236 0.382 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.404 ' CD1' HD13 ' A' ' 37' ' ' ILE . 40.1 mm -49.36 -29.23 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.773 1.629 . . . . 0.0 111.728 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -48.77 -48.88 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 t -67.42 -41.55 84.65 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 122.946 0.498 . . . . 0.0 111.442 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -63.27 -48.27 78.87 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.474 0.71 . . . . 0.0 109.683 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -62.8 -43.93 97.49 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.889 1.276 . . . . 0.0 110.277 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.14 -43.23 82.23 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -63.42 -49.65 72.91 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 118.635 0.652 . . . . 0.0 110.791 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.76 -38.54 88.39 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 117.783 0.265 . . . . 0.0 110.684 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.89 10.42 20.99 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 126.158 1.837 . . . . 0.0 111.079 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.8 m -79.27 102.99 8.89 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 105.144 -2.169 . . . . 0.0 105.144 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.7 t -87.57 -71.89 0.55 Allowed 'General case' 0 CA--C 1.527 0.095 0 CA-C-N 118.839 0.745 . . . . 0.0 112.384 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -52.45 -31.04 32.76 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.49 1.041 . . . . 0.0 112.67 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.4 m -63.28 -31.44 72.59 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 121.598 -0.689 . . . . 0.0 111.311 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.74 -38.83 73.56 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -60.78 -44.23 97.05 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -60.64 -51.69 68.32 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -56.75 -42.78 79.9 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.1 p -71.69 -39.84 69.96 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.691 0.796 . . . . 0.0 111.323 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.0 m -65.25 -40.65 94.28 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -71.73 -14.57 62.05 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.92 -0.488 . . . . 0.0 112.133 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.1 27.39 72.26 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 126.383 1.944 . . . . 0.0 113.878 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 pp -117.1 19.22 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 125.574 1.55 . . . . 0.0 112.996 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.33 115.88 22.72 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.36 148.11 21.34 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 177.128 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 mm -79.5 -55.45 9.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-O 122.396 1.093 . . . . 0.0 112.136 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -59.62 -18.49 41.96 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 126.697 1.999 . . . . 0.0 113.445 -177.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -85.27 -47.78 9.73 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 118.067 -0.968 . . . . 0.0 109.38 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.411 HG21 HD11 ' A' ' 58' ' ' ILE . 16.7 pt -63.98 -22.65 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 119.823 1.192 . . . . 0.0 111.468 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -63.44 -27.48 69.31 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.413 1.485 . . . . 0.0 109.69 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -114.44 -22.14 10.0 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.662 1.985 . . . . 0.0 113.276 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -76.04 98.83 4.42 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 m -70.81 172.23 9.21 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.641 0.776 . . . . 0.0 109.465 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -48.4 -34.32 10.65 Favored 'General case' 0 C--O 1.227 -0.118 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -177.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.66 -50.22 73.88 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.572 1.149 . . . . 0.0 110.107 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.94 -43.58 78.8 Favored 'General case' 0 CA--C 1.517 -0.312 0 O-C-N 121.749 -0.594 . . . . 0.0 110.822 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 mt -58.35 -48.61 80.01 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.02 97.91 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 119.203 -0.427 . . . . 0.0 110.366 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -63.82 -26.4 68.61 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.266 0.485 . . . . 0.0 111.273 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.5 mt -76.5 10.99 1.78 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.498 1.519 . . . . 0.0 110.59 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? 74.55 3.19 4.24 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 129.385 3.074 . . . . 0.0 113.112 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.8 mm -65.74 115.48 22.94 Favored Pre-proline 0 CA--C 1.533 0.316 0 N-CA-C 103.441 -2.8 . . . . 0.0 103.441 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.86 151.08 68.38 Favored 'Trans proline' 0 N--CA 1.451 -1.01 0 CA-C-N 120.31 1.147 . . . . 0.0 109.882 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -54.58 -35.63 63.52 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.398 1.079 . . . . 0.0 109.984 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -61.01 -14.47 23.3 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.337 2.255 . . . . 0.0 113.214 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -125.92 -38.57 2.18 Favored 'General case' 0 CA--C 1.522 -0.107 0 C-N-CA 125.387 1.475 . . . . 0.0 110.978 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.34 -34.0 45.41 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.5 1.046 . . . . 0.0 110.971 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -63.49 -32.2 73.58 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 119.232 0.924 . . . . 0.0 109.874 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.72 -53.71 30.62 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 119.88 1.218 . . . . 0.0 110.614 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.411 HD11 HG21 ' A' ' 37' ' ' ILE . 3.8 tt -61.04 -53.16 52.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -60.12 -49.87 75.93 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.61 -0.709 . . . . 0.0 112.019 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -61.91 -37.25 83.93 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 119.682 1.128 . . . . 0.0 110.442 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.72 -50.34 68.77 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 119.96 -1.114 . . . . 0.0 110.991 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.6 tp -70.35 -44.79 77.17 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.42 -34.34 73.81 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.02 -39.65 69.03 Favored 'General case' 0 C--O 1.222 -0.354 0 O-C-N 123.395 0.434 . . . . 0.0 109.925 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -66.66 -51.1 59.98 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.393 1.477 . . . . 0.0 110.533 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -28.35 67.12 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -79.29 -24.34 42.96 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.228 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.235 0.341 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 C--O 1.237 0.424 0 N-CA-C 106.708 -1.589 . . . . 0.0 106.708 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.507 HD11 HD11 ' A' ' 37' ' ' ILE . 17.0 mm -61.54 -18.15 18.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 CA-C-O 117.833 -1.079 . . . . 0.0 111.754 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 m -53.51 -51.68 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 119.205 0.912 . . . . 0.0 109.318 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.6 m -60.86 -42.19 97.39 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.147 1.379 . . . . 0.0 110.116 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -62.02 -45.53 93.19 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.534 -0.729 . . . . 0.0 109.518 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.674 ' HE2' HD13 ' A' ' 58' ' ' ILE . 2.9 m-85 -64.11 -39.9 95.05 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 117.52 -1.229 . . . . 0.0 110.666 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.15 -44.4 87.85 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.5 mtp85 -72.62 -35.22 67.77 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 mt -68.66 -35.37 77.15 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 119.166 -0.445 . . . . 0.0 109.997 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.35 6.38 36.2 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 125.944 1.735 . . . . 0.0 110.348 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 84.4 m -71.47 106.97 4.15 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.3 m -81.0 -100.51 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.627 1.571 . . . . 0.0 111.062 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.9 p -51.63 -26.56 9.19 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.413 1.885 . . . . 0.0 114.585 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 75.9 m -63.73 -32.38 73.85 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 120.833 -1.167 . . . . 0.0 110.683 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.43 -38.27 74.52 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -58.79 -44.67 90.78 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.023 0.929 . . . . 0.0 109.563 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -65.49 -49.7 68.04 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.98 -49.05 72.4 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.283 0.947 . . . . 0.0 112.887 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.9 p -62.24 -47.75 83.01 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.191 0.996 . . . . 0.0 110.159 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 m -65.03 -32.74 74.61 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.377 -0.82 . . . . 0.0 110.252 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -72.85 -26.95 61.65 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.964 1.256 . . . . 0.0 109.788 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.12 36.89 39.17 Favored Glycine 0 C--N 1.338 0.66 0 C-N-CA 124.531 1.063 . . . . 0.0 113.144 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.39 22.37 4.03 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.234 1.414 . . . . 0.0 113.636 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.41 118.07 24.03 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.004 -1.06 . . . . 0.0 108.209 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.479 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -156.93 149.62 23.52 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.096 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -78.51 -55.64 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.829 0.823 . . . . 0.0 111.693 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -59.57 -22.61 61.99 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 126.377 1.871 . . . . 0.0 112.918 -176.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.479 ' HB2' HG23 ' A' ' 33' ' ' THR . 35.3 mm-40 -83.87 -52.97 5.93 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 118.675 -0.679 . . . . 0.0 110.638 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.53 ' CD1' HD11 ' A' ' 58' ' ' ILE . 36.8 pt -62.05 -23.18 30.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 118.728 0.695 . . . . 0.0 110.837 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -64.83 -24.35 67.52 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 118.397 -0.811 . . . . 0.0 109.631 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -114.46 -23.45 9.33 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.582 1.083 . . . . 0.0 112.624 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -71.45 105.54 3.61 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.567 1.547 . . . . 0.0 108.078 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.0 m -67.6 170.53 7.54 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.567 0.698 . . . . 0.0 112.1 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -27.0 21.62 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.597 1.559 . . . . 0.0 112.267 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -64.67 -49.26 71.68 Favored 'General case' 0 N--CA 1.46 0.049 0 C-N-CA 124.859 1.264 . . . . 0.0 108.27 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.22 -45.25 94.17 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 mp -55.67 -47.41 76.76 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.86 -45.62 93.0 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 118.889 -0.577 . . . . 0.0 110.153 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 59.7 p -61.95 -32.53 72.96 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 118.913 0.779 . . . . 0.0 111.805 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.3 mt -75.79 11.78 1.27 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.715 1.606 . . . . 0.0 111.052 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.85 20.24 8.06 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 128.742 2.817 . . . . 0.0 113.351 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.3 mm -77.18 124.51 87.17 Favored Pre-proline 0 CA--C 1.543 0.694 0 CA-C-N 118.668 0.667 . . . . 0.0 109.254 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -66.41 135.35 39.18 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.92 2.413 . . . . 0.0 110.715 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -41.52 -50.49 3.98 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 116.867 2.173 . . . . 0.0 116.867 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -55.31 -42.45 73.72 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.351 1.06 . . . . 0.0 111.4 -177.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -86.18 -44.79 11.91 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.801 -0.618 . . . . 0.0 110.83 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -50.77 -48.15 59.42 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.734 0.814 . . . . 0.0 113.143 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -68.31 -25.32 65.07 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.322 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.39 -47.22 43.79 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 119.875 1.216 . . . . 0.0 110.443 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.674 HD13 ' HE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -62.1 -50.72 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.748 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -54.38 -51.96 63.18 Favored 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 124.298 0.999 . . . . 0.0 109.9 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -57.74 -39.89 78.39 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 118.529 -0.748 . . . . 0.0 109.98 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.91 -50.6 65.71 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 119.382 0.992 . . . . 0.0 113.376 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.5 tp -71.45 -40.88 72.87 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-N 118.06 0.93 . . . . 0.0 111.813 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.08 -32.43 72.97 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -73.29 -41.33 63.71 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -61.32 -56.96 14.54 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -23.77 66.09 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.011 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -67.15 -42.9 83.57 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 120.26 1.391 . . . . 0.0 108.702 177.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.9 mt . . . . . 0 C--O 1.234 0.266 0 C-N-CA 123.344 0.658 . . . . 0.0 111.201 -179.1 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.238 0.46 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mm -54.78 -22.18 9.27 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 CA-C-O 117.47 -1.252 . . . . 0.0 112.609 -178.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.2 m -55.43 -43.97 74.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 120.385 1.448 . . . . 0.0 110.394 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 t -68.36 -43.02 78.35 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 123.35 0.66 . . . . 0.0 109.915 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -66.83 -53.18 35.23 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 123.037 0.211 . . . . 0.0 111.473 -177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.608 ' HE2' HD13 ' A' ' 58' ' ' ILE . 5.6 m-30 -58.87 -40.22 83.7 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.779 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.4 89.33 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -63.23 -36.74 84.67 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 118.692 0.678 . . . . 0.0 110.929 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.2 mt -66.2 -30.78 71.3 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.155 0.888 . . . . 0.0 110.117 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.77 16.12 18.34 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 126.055 1.788 . . . . 0.0 110.241 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 79.8 m -76.0 152.48 36.95 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.258 1.029 . . . . 0.0 110.283 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.7 t -123.25 -93.55 0.51 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.068 0.947 . . . . 0.0 109.148 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -52.36 -25.4 9.66 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.044 1.738 . . . . 0.0 114.102 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.2 m -64.33 -43.06 95.83 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 120.878 -1.139 . . . . 0.0 110.129 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.27 -34.06 74.18 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -59.72 -44.17 93.84 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 124.478 1.111 . . . . 0.0 108.87 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -64.62 -46.96 80.37 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.65 -43.56 89.83 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.3 p -67.37 -44.35 79.19 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 m -60.24 -42.19 94.75 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -71.66 -24.43 61.84 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.06 -1.025 . . . . 0.0 111.167 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.87 35.34 65.6 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 124.416 1.008 . . . . 0.0 112.294 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 pp -127.11 26.52 6.06 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.961 1.304 . . . . 0.0 112.508 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.44 115.94 22.81 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.194 -0.942 . . . . 0.0 108.654 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.77 148.28 20.8 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 122.067 -0.396 . . . . 0.0 112.044 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -79.54 -54.1 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.98 0.912 . . . . 0.0 112.039 178.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -60.71 -17.54 48.88 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 124.845 1.258 . . . . 0.0 113.567 -177.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -80.26 -49.98 10.85 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 58' ' ' ILE . 39.6 pt -63.11 -24.53 36.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 117.591 -1.195 . . . . 0.0 114.062 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -65.01 -19.28 65.92 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 121.04 1.745 . . . . 0.0 109.359 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -114.26 -22.82 9.75 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.258 1.023 . . . . 0.0 111.828 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -76.5 104.29 6.93 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 107.046 -1.465 . . . . 0.0 107.046 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -75.2 166.91 22.9 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 126.609 1.964 . . . . 0.0 110.436 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.09 -26.99 4.99 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.551 1.54 . . . . 0.0 114.92 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -75.34 -47.57 27.09 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 124.189 0.996 . . . . 0.0 110.544 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.56 -48.98 75.22 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 125.665 1.586 . . . . 0.0 108.208 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.5 mt -56.09 -49.68 73.14 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 124.968 1.307 . . . . 0.0 107.892 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.65 -39.24 93.27 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 121.56 -0.713 . . . . 0.0 111.274 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -27.83 69.49 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.353 0.524 . . . . 0.0 110.402 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.0 mt -77.08 15.02 0.76 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.216 1.006 . . . . 0.0 111.168 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.51 40.24 6.3 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 127.697 2.399 . . . . 0.0 111.851 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.3 mm -100.13 101.55 14.82 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 103.818 -2.66 . . . . 0.0 103.818 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -67.89 150.5 78.39 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.301 2.001 . . . . 0.0 111.249 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -48.8 -40.48 29.23 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.016 1.326 . . . . 0.0 114.439 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -55.16 -17.38 4.17 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.808 1.643 . . . . 0.0 113.421 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -124.61 -44.27 1.98 Allowed 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.844 1.658 . . . . 0.0 109.856 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.4 ttp85 -50.18 -43.86 52.61 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 126.349 1.859 . . . . 0.0 112.299 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -62.67 -32.98 74.14 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 119.103 -0.475 . . . . 0.0 111.481 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.8 -46.32 53.81 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.954 0.901 . . . . 0.0 111.564 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.608 HD13 ' HE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -59.69 -51.46 72.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 119.105 0.866 . . . . 0.0 108.986 179.403 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -60.85 -49.29 78.08 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 124.089 0.868 . . . . 0.0 110.803 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -64.05 -36.94 85.65 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 118.402 -0.809 . . . . 0.0 110.963 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.32 -50.36 67.33 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 119.787 1.176 . . . . 0.0 111.2 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.62 -44.8 59.95 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.419 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.89 -32.75 74.08 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.073 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -72.8 -38.06 67.34 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.477 0.581 . . . . 0.0 110.266 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -65.17 -56.61 11.87 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 124.523 1.129 . . . . 0.0 108.378 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -29.96 71.08 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.335 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -73.81 -30.86 62.95 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.286 0.948 . . . . 0.0 111.238 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.5 mt . . . . . 0 C--O 1.235 0.337 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -178.866 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.3 mm -48.04 -31.39 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.344 1.458 . . . . 0.0 111.509 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.5 m -48.96 -48.65 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 O-C-N 123.91 0.756 . . . . 0.0 112.044 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 t -67.32 -38.12 84.41 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.474 0.579 . . . . 0.0 110.952 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -64.27 -48.16 76.78 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.36 -0.837 . . . . 0.0 108.758 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -62.0 -41.0 97.58 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.929 1.692 . . . . 0.0 111.285 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.74 -50.36 73.49 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -59.27 -43.09 92.5 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-O 118.4 -0.81 . . . . 0.0 111.392 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.62 -40.24 96.33 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.956 0.798 . . . . 0.0 110.414 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.37 14.86 7.97 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 126.066 1.794 . . . . 0.0 111.577 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.2 m -62.71 165.87 6.06 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.193 1.497 . . . . 0.0 112.261 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.8 t -129.05 -110.21 0.27 Allowed 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.5 m -52.36 -21.94 4.1 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.238 1.415 . . . . 0.0 114.65 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.8 m -61.33 -34.94 76.08 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.044 -1.035 . . . . 0.0 109.688 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.94 -40.69 87.64 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.85 -49.69 75.25 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 126.778 2.031 . . . . 0.0 110.74 -178.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -60.7 -47.97 83.88 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -58.04 -49.95 75.12 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.296 2.9 t -65.04 -45.66 84.5 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.768 1.227 . . . . 0.0 111.518 -177.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.3 m -59.15 -38.84 80.69 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -75.35 -17.47 60.23 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.21 40.96 87.55 Favored Glycine 0 CA--C 1.527 0.807 0 O-C-N 121.149 -0.97 . . . . 0.0 111.518 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pp -129.79 19.07 5.61 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.465 1.106 . . . . 0.0 112.368 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.45 119.09 26.33 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 121.21 -0.931 . . . . 0.0 111.162 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.01 148.06 23.31 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.285 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.4 mm -78.92 -47.86 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 122.43 1.109 . . . . 0.0 109.597 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.07 -26.51 68.87 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.677 1.991 . . . . 0.0 112.816 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -81.24 -42.68 20.35 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 121.865 -0.522 . . . . 0.0 112.162 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.5 pt -60.69 -18.57 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 CA-C-N 118.608 0.64 . . . . 0.0 112.278 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -62.27 -26.36 68.36 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.947 0.794 . . . . 0.0 109.531 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -116.25 -22.16 8.99 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.69 1.196 . . . . 0.0 113.545 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -68.85 110.71 4.5 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.854 1.206 . . . . 0.0 109.193 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 m -77.13 177.87 7.49 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.718 0.77 . . . . 0.0 110.507 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -62.72 -22.87 66.84 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.247 0.619 . . . . 0.0 110.637 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -65.09 -50.22 66.98 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 126.481 1.912 . . . . 0.0 110.335 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.94 -43.36 88.28 Favored 'General case' 0 N--CA 1.461 0.114 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.9 mt -54.55 -51.82 63.99 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.62 -40.87 84.54 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.258 0.623 . . . . 0.0 110.871 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.89 -32.57 73.86 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 122.581 0.352 . . . . 0.0 110.392 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.6 mt -82.57 35.28 0.45 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.874 1.269 . . . . 0.0 111.526 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 tptp 63.78 2.46 1.32 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.111 2.164 . . . . 0.0 116.841 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.9 mm -67.69 122.89 85.37 Favored Pre-proline 0 CA--C 1.539 0.547 0 C-N-CA 124.38 1.072 . . . . 0.0 109.958 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -73.37 141.24 31.54 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.729 2.286 . . . . 0.0 106.26 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -57.35 -29.86 64.35 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 119.455 1.025 . . . . 0.0 113.188 -178.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -55.42 -30.31 60.23 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.778 1.231 . . . . 0.0 111.825 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -109.94 -31.14 7.5 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.211 1.404 . . . . 0.0 109.739 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -54.7 -34.97 63.11 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 120.572 1.533 . . . . 0.0 108.175 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -63.82 -28.55 69.94 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 123.871 0.868 . . . . 0.0 110.895 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.57 -56.73 5.83 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 120.351 1.432 . . . . 0.0 109.517 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.7 tt -60.1 -53.9 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 119.637 -0.22 . . . . 0.0 110.606 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -53.01 63.08 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 123.677 0.61 . . . . 0.0 111.505 -177.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -58.7 -38.46 78.32 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 119.463 1.029 . . . . 0.0 109.712 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.94 -50.27 69.48 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 119.64 1.109 . . . . 0.0 112.06 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -42.6 55.25 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 CA-C-O 118.564 -0.731 . . . . 0.0 112.143 -178.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.53 -33.74 74.33 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.59 -35.13 65.36 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -67.4 -57.12 7.16 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 123.094 0.558 . . . . 0.0 109.57 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -29.17 70.44 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.316 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -73.54 -41.46 62.96 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.897 1.226 . . . . 0.0 110.816 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.2 mt . . . . . 0 C--O 1.235 0.318 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -178.32 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.237 0.427 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.0 mm -58.58 -24.8 26.44 Favored 'Isoleucine or valine' 0 C--N 1.346 0.437 0 CA-C-O 117.337 -1.316 . . . . 0.0 111.592 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -50.45 -41.52 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 120.572 1.533 . . . . 0.0 111.049 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.0 t -73.07 -37.63 66.74 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -63.6 -49.87 71.64 Favored 'General case' 0 C--N 1.339 0.132 0 O-C-N 121.006 -1.059 . . . . 0.0 109.73 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.656 ' HE2' HD13 ' A' ' 58' ' ' ILE . 5.7 m-30 -61.12 -40.44 93.78 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 118.424 -0.798 . . . . 0.0 109.78 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.87 -47.79 84.77 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -64.26 -34.07 77.27 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 124.213 1.005 . . . . 0.0 112.532 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.5 mt -70.71 -50.94 30.94 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 178.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.08 -5.23 8.95 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 127.677 2.56 . . . . 0.0 111.493 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.2 m -60.8 104.4 0.35 Allowed 'General case' 0 C--N 1.342 0.262 0 C-N-CA 125.921 1.688 . . . . 0.0 110.603 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.54 -93.17 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.748 1.219 . . . . 0.0 113.364 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.4 m -56.22 -18.15 9.5 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 114.622 1.342 . . . . 0.0 114.622 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.2 m -62.97 -33.3 75.1 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.714 1.143 . . . . 0.0 109.669 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -38.06 75.97 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -58.67 -47.69 83.64 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 124.259 1.023 . . . . 0.0 109.462 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -61.97 -51.08 69.51 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -58.3 -45.42 88.01 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.6 t -67.19 -34.55 77.74 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.6 m -69.18 -25.21 64.23 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.524 -1.36 . . . . 0.0 110.405 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -87.57 -23.51 24.31 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.5 1.12 . . . . 0.0 111.082 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.5 39.89 86.74 Favored Glycine 0 C--N 1.342 0.915 0 C-N-CA 124.759 1.171 . . . . 0.0 113.633 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.45 29.08 1.79 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.803 1.641 . . . . 0.0 112.27 -178.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 t -88.04 118.17 27.41 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 120.873 -1.142 . . . . 0.0 110.643 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.528 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -158.54 149.8 20.76 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.017 -1.052 . . . . 0.0 111.849 179.643 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -79.08 -48.66 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 124.475 1.11 . . . . 0.0 110.822 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -60.25 -28.62 68.18 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 125.321 1.448 . . . . 0.0 112.062 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.528 ' HB2' HG23 ' A' ' 33' ' ' THR . 36.2 mt-30 -76.37 -49.66 16.24 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.248 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.509 ' CD1' HD11 ' A' ' 58' ' ' ILE . 46.7 pt -63.01 -19.9 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 119.027 0.83 . . . . 0.0 112.65 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.44 -25.83 68.18 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -115.05 -24.15 8.71 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.654 1.182 . . . . 0.0 113.316 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.411 ' HB2' ' HA ' ' A' ' 37' ' ' ILE . 3.4 m-85 -74.73 97.16 3.18 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.034 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.2 m -64.36 167.76 6.47 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.144 0.978 . . . . 0.0 111.294 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -53.94 -24.28 15.89 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -74.66 -40.16 61.6 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.659 1.183 . . . . 0.0 109.888 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.69 -42.65 77.52 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 178.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.6 mt -56.05 -51.45 67.77 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.66 -41.29 76.99 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.748 0.704 . . . . 0.0 111.215 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.1 t -58.74 -34.69 71.66 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.938 0.895 . . . . 0.0 111.713 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.5 mt -75.3 27.83 0.1 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.687 1.995 . . . . 0.0 114.509 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.44 33.56 13.59 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.643 1.577 . . . . 0.0 112.469 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 33.3 mm -101.19 133.94 20.65 Favored Pre-proline 0 CA--C 1.538 0.508 0 C-N-CA 125.073 1.349 . . . . 0.0 111.465 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -75.68 157.01 40.11 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.676 2.251 . . . . 0.0 107.966 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.3 -36.94 85.63 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 115.335 1.605 . . . . 0.0 115.335 -177.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -59.93 -53.09 61.98 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.575 1.079 . . . . 0.0 111.29 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -67.69 -42.9 81.34 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.09 -47.41 61.88 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 118.867 0.758 . . . . 0.0 109.302 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -63.26 -32.73 74.21 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 116.814 -1.565 . . . . 0.0 111.041 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.55 -52.57 44.19 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 120.748 1.613 . . . . 0.0 110.713 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.656 HD13 ' HE2' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -64.16 -53.02 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 O-C-N 122.033 -0.417 . . . . 0.0 109.971 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -43.06 85.92 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 123.561 0.538 . . . . 0.0 110.523 -178.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -62.17 -40.67 96.8 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-O 117.96 -1.019 . . . . 0.0 108.882 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.25 -51.32 57.4 Favored Glycine 0 C--O 1.226 -0.398 0 CA-C-N 119.22 0.918 . . . . 0.0 113.115 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.8 tp -66.29 -44.87 90.92 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.505 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.3 -31.34 71.93 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -73.95 -37.51 64.52 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.751 0.421 . . . . 0.0 110.209 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -65.9 -57.41 7.94 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.22 1.408 . . . . 0.0 107.207 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.54 -27.53 69.03 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 118.352 -0.832 . . . . 0.0 111.514 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -75.31 -31.05 60.53 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 120.515 1.507 . . . . 0.0 110.161 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.9 mt . . . . . 0 C--O 1.236 0.368 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -178.025 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 C--O 1.237 0.426 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.3 mt -50.29 -29.55 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.94 1.296 . . . . 0.0 111.328 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 m -50.83 -46.13 28.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 118.053 0.388 . . . . 0.0 110.935 178.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.5 t -66.23 -43.37 86.79 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.555 1.142 . . . . 0.0 109.457 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.548 ' CZ ' HD11 ' A' ' 17' ' ' LEU . 11.6 t80 -59.5 -45.86 90.48 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -63.78 -44.81 92.3 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 117.658 -1.163 . . . . 0.0 110.901 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.65 -33.53 70.2 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.457 1.026 . . . . 0.0 110.321 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -71.25 -50.45 32.69 Favored 'General case' 0 C--O 1.232 0.144 0 O-C-N 121.009 -1.057 . . . . 0.0 108.843 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.548 HD11 ' CZ ' ' A' ' 13' ' ' PHE . 60.6 mt -63.04 -34.85 78.45 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.478 0.711 . . . . 0.0 112.647 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.05 19.52 10.07 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 125.817 1.675 . . . . 0.0 109.661 -178.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 t -86.55 138.93 31.32 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 118.613 1.207 . . . . 0.0 109.989 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.83 -65.35 1.13 Allowed 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 125.102 1.361 . . . . 0.0 113.054 -178.046 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.33 -38.64 59.16 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -178.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -33.19 71.48 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 119.15 -1.02 . . . . 0.0 111.282 -178.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.0 -44.28 97.06 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.84 -42.32 97.55 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 123.787 0.679 . . . . 0.0 110.995 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -63.43 -54.45 36.32 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -55.91 -43.88 77.73 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.755 1.222 . . . . 0.0 113.832 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.5 p -68.91 -41.67 77.88 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.738 0.699 . . . . 0.0 110.503 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -33.92 76.93 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.281 0.946 . . . . 0.0 109.703 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -76.11 -18.32 59.21 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.702 0.683 . . . . 0.0 112.823 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.46 36.7 91.9 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 123.603 0.62 . . . . 0.0 112.733 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 pp -134.15 24.97 3.88 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.427 1.091 . . . . 0.0 112.974 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.05 119.07 25.03 Favored 'General case' 0 CA--C 1.519 -0.224 0 O-C-N 120.844 -1.16 . . . . 0.0 109.779 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.84 147.3 21.38 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.2 mm -79.09 -46.93 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 125.058 1.343 . . . . 0.0 109.975 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -58.59 -28.88 65.98 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.575 1.55 . . . . 0.0 110.943 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -82.68 -45.33 14.61 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.365 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.5 pt -60.87 -20.0 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-N 120.344 1.429 . . . . 0.0 111.478 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -60.81 -33.82 73.59 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.076 0.951 . . . . 0.0 108.693 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -113.15 -22.34 10.56 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 117.445 -1.264 . . . . 0.0 113.279 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -62.3 109.58 1.38 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 120.178 1.354 . . . . 0.0 109.516 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 m -74.25 173.31 10.36 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 122.145 0.974 . . . . 0.0 111.902 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.7 mmt -53.92 -36.97 63.32 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.224 1.41 . . . . 0.0 113.338 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.66 -43.04 97.9 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.457 0.703 . . . . 0.0 112.467 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -45.29 70.58 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.4 mt -57.1 -43.54 82.34 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.9 92.93 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.906 -0.496 . . . . 0.0 110.74 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -63.58 -31.38 72.52 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.358 0.663 . . . . 0.0 109.395 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.97 23.09 0.14 Allowed 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.742 -1.223 . . . . 0.0 110.684 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? 68.25 22.67 8.05 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.544 1.938 . . . . 0.0 112.29 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.5 mt -96.52 106.93 32.99 Favored Pre-proline 0 CA--C 1.548 0.896 0 O-C-N 120.5 -1.375 . . . . 0.0 109.446 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.84 147.4 74.81 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.331 2.688 . . . . 0.0 110.153 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -42.34 -45.15 4.17 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.349 1.86 . . . . 0.0 114.3 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -55.18 -35.82 65.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.963 1.305 . . . . 0.0 113.283 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -105.35 -31.27 9.13 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.982 0.513 . . . . 0.0 110.046 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -57.16 -40.13 76.63 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.049 -1.657 . . . . 0.0 108.506 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -66.47 -25.91 66.94 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.379 -0.826 . . . . 0.0 109.17 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.61 -56.45 8.19 Favored 'General case' 0 C--N 1.341 0.207 0 O-C-N 120.37 -1.456 . . . . 0.0 109.329 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.4 tt -56.07 -51.13 65.42 Favored 'Isoleucine or valine' 0 C--N 1.342 0.275 0 CA-C-N 118.824 0.738 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.62 -51.55 68.02 Favored 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 124.007 0.817 . . . . 0.0 110.82 -177.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -43.29 80.78 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 119.857 1.208 . . . . 0.0 109.403 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.37 -50.79 63.27 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-N 118.16 0.436 . . . . 0.0 113.196 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.5 tp -71.98 -37.33 60.49 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 118.935 -0.555 . . . . 0.0 111.845 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.32 -32.63 73.42 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.84 -38.24 70.15 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -63.91 -56.83 12.36 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 124.339 1.055 . . . . 0.0 109.058 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.12 -25.41 67.76 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 117.709 -1.139 . . . . 0.0 110.811 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -81.07 -23.09 38.72 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 120.224 1.374 . . . . 0.0 110.841 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.7 mt . . . . . 0 C--O 1.235 0.29 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -179.185 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.238 0.481 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.4 mm -50.17 -25.89 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 117.94 -1.029 . . . . 0.0 112.033 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.1 m -54.01 -51.57 44.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 119.125 0.875 . . . . 0.0 110.394 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.6 m -63.17 -42.79 99.46 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 124.357 1.063 . . . . 0.0 110.445 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -62.67 -47.03 85.43 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 121.069 0.461 . . . . 0.0 110.06 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -66.83 -36.75 83.07 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.372 1.069 . . . . 0.0 110.446 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.14 -41.96 84.86 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -70.74 -40.23 72.84 Favored 'General case' 0 C--N 1.345 0.409 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.6 mt -69.94 -25.29 63.59 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.548 0.739 . . . . 0.0 112.603 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.61 7.86 57.63 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 126.675 2.083 . . . . 0.0 110.033 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.4 m -70.12 111.08 5.52 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 117.659 0.73 . . . . 0.0 110.559 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.9 m -87.93 -92.09 0.11 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.006 1.722 . . . . 0.0 112.007 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 m -52.45 -29.72 26.06 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 120.386 1.448 . . . . 0.0 113.615 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.5 m -63.47 -33.47 75.65 Favored 'General case' 0 N--CA 1.444 -0.773 0 O-C-N 120.974 -1.079 . . . . 0.0 111.719 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.38 -40.98 77.08 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -57.19 -51.15 70.47 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.708 1.203 . . . . 0.0 108.908 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -55.49 -53.65 53.65 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -56.65 -44.56 81.43 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.3 p -56.96 -50.32 72.98 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 118.604 -0.712 . . . . 0.0 110.149 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.3 m -63.53 -37.89 89.03 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.273 1.029 . . . . 0.0 111.112 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -66.56 -20.68 66.07 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.7 39.68 95.42 Favored Glycine 0 C--N 1.339 0.706 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 pp -138.9 26.88 2.45 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.33 117.95 23.91 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.12 148.85 22.42 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 177.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.2 mm -78.95 -56.01 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 124.017 0.927 . . . . 0.0 112.933 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -65.31 -13.03 57.54 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 124.937 1.295 . . . . 0.0 114.104 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -85.67 -49.52 7.91 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 117.839 -1.077 . . . . 0.0 108.368 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.628 HG21 HD11 ' A' ' 58' ' ' ILE . 23.4 pt -61.73 -22.15 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 119.922 1.237 . . . . 0.0 110.8 178.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.8 -25.45 67.24 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.234 1.414 . . . . 0.0 109.79 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -113.03 -22.3 10.64 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.542 1.537 . . . . 0.0 111.73 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -78.27 94.32 4.78 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 m -67.82 -177.31 0.78 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.482 1.513 . . . . 0.0 110.827 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -46.77 40.11 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.165 1.386 . . . . 0.0 112.998 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -63.88 -35.54 80.99 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 118.899 -0.572 . . . . 0.0 112.48 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.87 -43.86 64.76 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 120.059 1.3 . . . . 0.0 109.723 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.8 mp -62.43 -44.99 95.11 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.49 -44.22 97.48 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.5 t -63.83 -24.7 67.85 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.386 1.074 . . . . 0.0 110.311 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.7 mt -80.99 12.97 2.94 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 119.917 -1.739 . . . . 0.0 109.775 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.18 12.74 8.89 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 128.73 2.812 . . . . 0.0 112.157 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.3 mm -76.35 122.44 86.74 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 123.751 0.82 . . . . 0.0 108.867 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.0 152.28 45.92 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.242 2.628 . . . . 0.0 109.432 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -30.66 68.77 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.208 -0.932 . . . . 0.0 113.033 -179.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -60.4 -13.41 13.2 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.804 1.642 . . . . 0.0 113.346 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -131.45 -39.66 1.14 Allowed 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.699 1.199 . . . . 0.0 110.38 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -33.7 61.06 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 119.844 1.202 . . . . 0.0 109.714 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -62.83 -39.37 94.13 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 119.033 -0.508 . . . . 0.0 111.213 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.76 -51.03 53.81 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 118.948 -0.548 . . . . 0.0 112.424 -177.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.628 HD11 HG21 ' A' ' 37' ' ' ILE . 2.2 tt -57.29 -51.01 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 O-C-N 123.776 0.673 . . . . 0.0 109.687 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -67.38 -53.16 31.75 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -56.21 -41.84 76.26 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 123.412 0.685 . . . . 0.0 109.37 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.97 -48.22 87.38 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 124.088 0.851 . . . . 0.0 112.299 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.3 tp -70.16 -44.36 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.74 0 CA-C-N 118.492 1.146 . . . . 0.0 110.313 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.13 -32.21 72.77 Favored 'General case' 0 C--O 1.219 -0.521 0 O-C-N 124.137 0.898 . . . . 0.0 109.156 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -71.63 -45.6 61.57 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -59.53 -56.44 21.88 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.973 1.709 . . . . 0.0 109.652 -178.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -31.51 72.77 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.084 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -77.26 -12.27 59.93 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 118.974 0.806 . . . . 0.0 110.831 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.9 mt . . . . . 0 CA--C 1.534 0.348 0 C-N-CA 125.127 1.371 . . . . 0.0 113.436 178.865 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.0 t . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.4 mt -52.81 -20.59 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 126.235 1.814 . . . . 0.0 112.063 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.5 m -50.07 -47.41 24.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 118.614 0.643 . . . . 0.0 111.555 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 t -71.81 -37.51 70.35 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -63.94 -49.59 71.98 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 121.359 0.599 . . . . 0.0 109.579 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -62.19 -40.73 97.04 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.403 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.82 -35.58 76.89 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 124.021 0.826 . . . . 0.0 109.555 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -76.8 -34.05 57.97 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.005 -1.06 . . . . 0.0 111.769 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.9 mt -71.05 -51.77 23.38 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.75 0.23 2.05 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.098 1.333 . . . . 0.0 112.258 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 159.88 23.71 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 119.638 1.719 . . . . 0.0 111.918 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.5 p -140.82 -87.11 0.18 Allowed 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.94 0.896 . . . . 0.0 109.505 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -54.14 -31.25 51.88 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.314 0.961 . . . . 0.0 112.483 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.5 m -69.01 -27.91 66.11 Favored 'General case' 0 C--N 1.341 0.221 0 O-C-N 120.928 -1.107 . . . . 0.0 111.796 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.06 -41.68 70.4 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 178.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -60.1 -34.72 73.88 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.082 1.353 . . . . 0.0 110.445 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -69.43 -53.93 16.89 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.49 -42.78 71.14 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 125.234 1.414 . . . . 0.0 113.522 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.7 p -67.48 -52.53 38.13 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.338 1.055 . . . . 0.0 109.592 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.8 m -63.99 -25.24 68.04 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 118.994 -0.527 . . . . 0.0 112.226 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -81.03 -7.06 59.48 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.059 0.944 . . . . 0.0 111.233 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 57.38 33.53 66.14 Favored Glycine 0 C--N 1.336 0.549 0 C-N-CA 126.612 2.053 . . . . 0.0 112.969 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 pp -128.26 20.63 6.27 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.678 1.191 . . . . 0.0 113.479 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -87.21 116.64 25.43 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 121.473 -0.767 . . . . 0.0 110.815 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -156.32 148.02 22.82 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.355 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.1 mm -79.3 -53.06 14.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 123.001 1.381 . . . . 0.0 110.783 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -57.21 -30.23 64.39 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 127.315 2.246 . . . . 0.0 111.809 -177.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -80.18 -47.96 13.89 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 117.948 -1.025 . . . . 0.0 109.688 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.8 pt -60.58 -31.3 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 120.426 1.466 . . . . 0.0 110.441 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -57.54 -39.76 77.32 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -94.25 -23.18 17.97 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -76.78 107.41 9.08 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.306 0.957 . . . . 0.0 109.004 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -69.57 172.76 6.87 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.079 0.466 . . . . 0.0 110.305 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.5 mtp -52.28 -37.04 54.42 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -67.44 -34.64 77.61 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.2 -36.37 82.9 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.0 mt -64.34 -41.2 96.9 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.68 92.66 Favored 'General case' 0 C--N 1.34 0.174 0 O-C-N 121.741 -0.599 . . . . 0.0 109.539 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 t -59.7 -39.98 86.39 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.9 mt -69.94 13.4 0.15 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.315 0.646 . . . . 0.0 111.757 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm 69.73 9.57 7.23 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 129.519 3.128 . . . . 0.0 113.53 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.6 mm -65.07 124.48 86.89 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 123.95 0.9 . . . . 0.0 110.665 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.85 135.79 36.49 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.853 2.369 . . . . 0.0 108.711 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.21 -29.84 15.42 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -178.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -52.42 63.61 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.391 0.996 . . . . 0.0 109.919 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -84.62 -43.49 14.38 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.222 1.009 . . . . 0.0 110.78 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -40.49 68.77 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 119.962 1.255 . . . . 0.0 111.326 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -68.26 -26.2 65.56 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.798 -0.564 . . . . 0.0 109.941 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.56 -49.83 24.38 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 120.385 -1.447 . . . . 0.0 110.646 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.68 -51.17 76.22 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -56.16 -52.65 63.6 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 124.559 1.162 . . . . 0.0 110.05 -178.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -54.08 -42.85 69.8 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.861 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.19 -50.79 61.75 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 118.6 0.636 . . . . 0.0 114.293 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.0 tp -71.09 -40.27 75.26 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.569 0 O-C-N 121.196 -1.179 . . . . 0.0 111.84 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.39 -33.8 74.28 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.45 -32.11 64.17 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.395 1.878 . . . . 0.0 111.43 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -66.51 -54.16 26.93 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.471 ' HG2' ' N ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -70.8 -35.48 72.57 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 118.861 -1.136 . . . . 0.0 110.292 179.763 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.471 ' N ' ' HG2' ' A' ' 66' ' ' ARG . 22.9 tt0 -56.72 -34.23 67.29 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.664 0.603 . . . . 0.0 110.53 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 116.794 -1.574 . . . . 0.0 113.636 179.704 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 C--O 1.239 0.521 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.495 HD11 ' CD1' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -51.8 -28.19 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 117.388 -1.291 . . . . 0.0 112.721 -179.166 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 m -51.43 -46.75 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 119.259 0.936 . . . . 0.0 110.93 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 t -62.66 -45.47 92.64 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 123.635 0.774 . . . . 0.0 109.292 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.445 ' HB3' HD13 ' A' ' 10' ' ' ILE . 49.1 t80 -66.4 -43.66 85.21 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.735 -178.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.494 ' CE2' HD12 ' A' ' 10' ' ' ILE . 3.8 m-30 -63.55 -39.95 95.74 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 120.937 -1.102 . . . . 0.0 111.37 -179.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.29 98.56 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -65.19 -38.11 89.45 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-O 118.818 -0.611 . . . . 0.0 111.104 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.2 mt -65.83 -34.16 77.52 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.779 0.718 . . . . 0.0 109.603 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.81 18.03 33.59 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 125.635 1.588 . . . . 0.0 109.173 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . 0.261 31.4 p -75.72 160.66 29.81 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 118.957 1.378 . . . . 0.0 110.845 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -124.57 -87.69 0.61 Allowed 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.907 -178.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.5 p -52.38 -28.62 20.38 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 120.397 1.453 . . . . 0.0 113.22 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.9 m -64.28 -41.42 96.9 Favored 'General case' 0 N--CA 1.442 -0.861 0 O-C-N 121.57 -0.706 . . . . 0.0 110.614 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.06 -37.53 81.4 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 117.082 -1.437 . . . . 0.0 108.671 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -61.73 -51.06 69.91 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 125.411 1.484 . . . . 0.0 110.194 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -59.36 -47.52 85.1 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -55.94 -52.82 62.79 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.8 t -64.47 -39.25 93.45 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 118.794 0.725 . . . . 0.0 110.988 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.6 m -64.11 -29.48 70.6 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 118.78 0.718 . . . . 0.0 109.931 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -84.62 -26.43 27.88 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.88 -1.137 . . . . 0.0 111.449 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.9 38.98 75.6 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 124.73 1.157 . . . . 0.0 112.72 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.25 26.3 5.44 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.64 1.576 . . . . 0.0 111.749 -179.152 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.8 119.03 24.84 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.52 147.53 22.05 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 177.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.3 mm -79.27 -52.54 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-O 122.782 1.277 . . . . 0.0 109.897 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -56.21 -30.55 62.46 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 126.536 1.934 . . . . 0.0 112.451 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -74.05 -50.29 20.37 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 117.798 -1.096 . . . . 0.0 110.853 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.495 ' CD1' HD11 ' A' ' 10' ' ' ILE . 39.8 pt -62.47 -19.62 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 119.921 1.237 . . . . 0.0 112.943 -179.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.96 -23.04 65.01 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -114.31 -23.56 9.35 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.839 1.255 . . . . 0.0 112.159 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -81.51 90.75 6.26 Favored 'General case' 0 C--N 1.34 0.176 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 178.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.0 m -70.58 176.79 3.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.631 0.772 . . . . 0.0 110.283 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.3 ptp -48.84 -27.19 2.85 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -69.66 -50.51 43.35 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 119.501 1.046 . . . . 0.0 111.159 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.56 -41.76 92.57 Favored 'General case' 0 CA--C 1.517 -0.292 0 O-C-N 121.499 -0.751 . . . . 0.0 109.367 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.19 -38.72 84.11 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.18 -50.73 71.95 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 t -59.01 -24.8 63.11 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 124.583 1.153 . . . . 0.0 112.233 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.2 mt -81.65 20.08 0.97 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.303 1.041 . . . . 0.0 111.401 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.44 23.94 14.13 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 127.669 2.388 . . . . 0.0 112.337 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.4 mm -84.7 115.58 61.36 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.42 149.06 62.1 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.984 1.789 . . . . 0.0 109.224 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -56.38 -30.65 62.97 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -55.48 -20.37 12.54 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 128.196 2.598 . . . . 0.0 112.214 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -126.0 -44.26 1.78 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.609 1.563 . . . . 0.0 108.711 178.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -47.3 -51.67 18.51 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.413 1.485 . . . . 0.0 112.79 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.94 -32.67 73.11 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.764 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.89 -52.36 44.23 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 119.809 1.186 . . . . 0.0 111.654 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -53.48 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.72 -45.72 81.71 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.051 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -58.82 -40.39 84.01 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.36 -50.9 62.15 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 124.267 0.936 . . . . 0.0 113.001 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.4 tt -73.69 -42.96 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.719 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.307 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.22 -32.51 68.37 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -73.72 -38.41 64.81 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.28 1.432 . . . . 0.0 111.026 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -67.84 -56.87 7.49 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -33.22 74.09 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 118.111 -0.947 . . . . 0.0 109.739 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -69.79 -34.1 73.27 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.993 1.27 . . . . 0.0 110.419 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.2 mt . . . . . 0 CA--C 1.533 0.29 0 C-N-CA 123.412 0.685 . . . . 0.0 112.753 -179.592 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 CA--C 1.542 0.663 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.9 mt -60.33 -21.48 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 124.915 1.286 . . . . 0.0 109.569 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.3 m -49.52 -48.33 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 119.318 0.963 . . . . 0.0 112.172 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.2 t -67.14 -38.59 85.77 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -62.34 -43.8 97.99 Favored 'General case' 0 C--N 1.342 0.257 0 O-C-N 121.546 -0.721 . . . . 0.0 109.246 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.487 ' CZ ' HD12 ' A' ' 58' ' ' ILE . 4.8 m-30 -62.86 -36.0 81.84 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 117.521 -1.228 . . . . 0.0 109.874 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.68 91.1 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -74.68 -36.23 62.79 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.811 -0.556 . . . . 0.0 111.549 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.4 mt -70.54 -41.47 72.46 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 121.717 -0.614 . . . . 0.0 111.14 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.2 5.62 21.22 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.982 1.753 . . . . 0.0 110.845 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.9 m -66.52 140.95 58.02 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.157 1.479 . . . . 0.0 108.283 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.4 p -118.9 -83.06 0.65 Allowed 'General case' 0 C--O 1.232 0.159 0 C-N-CA 123.551 0.74 . . . . 0.0 111.611 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.88 -27.78 60.97 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.105 1.362 . . . . 0.0 112.855 -179.202 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.1 m -71.58 -28.19 63.66 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 118.264 -0.874 . . . . 0.0 112.429 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.6 -41.5 79.48 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -59.64 -44.58 93.45 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.093 1.757 . . . . 0.0 108.962 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -59.53 -51.38 70.08 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -58.39 -50.24 74.39 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.766 1.226 . . . . 0.0 113.5 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.0 p -60.89 -39.71 90.31 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 118.903 0.774 . . . . 0.0 109.578 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.8 m -65.6 -36.79 84.76 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.926 -0.484 . . . . 0.0 109.828 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -75.39 -18.57 59.9 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.02 0.827 . . . . 0.0 112.761 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.43 37.8 86.17 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 123.944 0.783 . . . . 0.0 112.995 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.57 20.72 3.34 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -178.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.5 119.39 25.8 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 119.716 1.144 . . . . 0.0 109.349 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.94 147.06 22.37 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 mt -79.33 -54.37 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 123.512 1.625 . . . . 0.0 111.83 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -59.96 -16.77 32.88 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 127.513 2.325 . . . . 0.0 113.681 -177.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -90.39 -50.33 6.02 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 118.195 -0.907 . . . . 0.0 109.574 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.2 pt -60.72 -26.48 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 119.062 0.846 . . . . 0.0 111.631 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -57.49 -28.13 63.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.624 0.77 . . . . 0.0 110.41 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -114.7 -22.12 9.87 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.282 1.033 . . . . 0.0 112.945 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -73.9 105.83 5.34 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 120.05 1.295 . . . . 0.0 108.705 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 m -71.29 176.5 4.52 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.001 1.72 . . . . 0.0 113.048 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.2 mmt -55.67 -33.41 64.08 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.256 -0.902 . . . . 0.0 112.431 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -46.75 88.51 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 124.218 1.007 . . . . 0.0 109.791 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.51 -41.51 96.36 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 mt -61.97 -44.32 97.0 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.59 96.0 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.1 t -64.44 -38.24 90.34 Favored 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 122.309 -0.244 . . . . 0.0 110.517 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 mt -74.9 20.98 0.12 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.949 1.7 . . . . 0.0 111.931 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.1 tptm 66.15 9.68 6.48 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 126.727 2.011 . . . . 0.0 113.547 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.6 mm -75.5 120.25 80.81 Favored Pre-proline 0 CA--C 1.544 0.745 0 CA-C-N 119.644 1.111 . . . . 0.0 109.726 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -70.57 144.11 48.83 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.763 2.308 . . . . 0.0 109.724 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -51.12 -39.03 55.3 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.975 0.91 . . . . 0.0 113.353 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -55.09 -25.94 34.7 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.826 2.051 . . . . 0.0 113.205 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -119.46 -40.34 2.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.9 0.88 . . . . 0.0 110.69 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -52.86 -38.45 61.53 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 119.736 1.153 . . . . 0.0 110.338 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -62.87 -32.5 73.76 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 118.608 -0.711 . . . . 0.0 110.526 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.33 -51.0 33.38 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 120.013 1.279 . . . . 0.0 110.915 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.487 HD12 ' CZ ' ' A' ' 14' ' ' PHE . 1.9 tt -61.39 -52.9 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -58.17 -55.32 36.52 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 124.067 0.854 . . . . 0.0 112.283 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -55.81 -39.02 70.74 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.276 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.75 -50.88 62.91 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 124.069 0.842 . . . . 0.0 112.754 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.456 ' O ' ' HD2' ' A' ' 66' ' ' ARG . 10.9 tp -68.29 -43.09 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-N 118.127 0.964 . . . . 0.0 110.492 -178.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -59.59 -34.07 72.27 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.394 0.616 . . . . 0.0 109.556 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -73.64 -31.33 63.45 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 126.096 1.758 . . . . 0.0 111.03 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -67.71 -54.54 18.55 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.456 ' HD2' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -69.25 -31.22 69.62 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 116.85 -1.94 . . . . 0.0 110.764 178.766 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -54.4 -47.69 72.46 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.448 -0.564 0 CA-C-O 118.355 -0.831 . . . . 0.0 111.497 178.721 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.7 m . . . . . 0 C--O 1.238 0.471 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.506 HD11 HD13 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -52.27 -31.44 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 119.421 1.01 . . . . 0.0 112.731 -179.293 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 m -52.46 -49.25 44.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 124.095 0.872 . . . . 0.0 110.634 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.6 m -64.73 -41.74 95.72 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.354 0.662 . . . . 0.0 110.14 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -64.37 -43.99 92.76 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.585 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.432 ' CE2' HD12 ' A' ' 10' ' ' ILE . 3.5 m-30 -63.79 -37.18 86.4 Favored 'General case' 0 C--O 1.238 0.488 0 O-C-N 120.748 -1.22 . . . . 0.0 111.066 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.62 90.76 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -61.48 -40.07 93.22 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.639 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.68 -42.56 99.69 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.692 1.133 . . . . 0.0 109.898 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.88 21.81 10.76 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 125.992 1.758 . . . . 0.0 110.073 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 p -77.25 172.22 13.61 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.021 1.41 . . . . 0.0 111.606 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.9 p -135.12 -87.05 0.37 Allowed 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 124.02 0.928 . . . . 0.0 109.199 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 p -52.97 -29.09 26.91 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.132 1.373 . . . . 0.0 112.381 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.0 m -67.44 -38.38 84.42 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 121.343 -0.848 . . . . 0.0 110.673 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.46 -38.01 77.56 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 117.682 -1.151 . . . . 0.0 108.715 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.5 -50.67 73.01 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 126.659 1.984 . . . . 0.0 109.239 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -63.85 -47.09 82.12 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 118.525 -0.75 . . . . 0.0 109.528 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -54.81 -49.83 70.04 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.659 1.118 . . . . 0.0 111.586 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.0 t -62.25 -38.35 88.92 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.503 1.047 . . . . 0.0 110.003 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.5 m -65.06 -26.4 68.23 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.941 0.897 . . . . 0.0 110.331 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -89.87 -26.69 20.36 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.898 -1.126 . . . . 0.0 110.253 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.04 37.93 83.43 Favored Glycine 0 C--N 1.339 0.697 0 CA-C-N 118.987 0.812 . . . . 0.0 111.762 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 pp -132.16 25.42 4.55 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.628 1.171 . . . . 0.0 112.181 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.95 117.89 24.21 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 -178.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.404 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -157.62 148.59 21.31 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 121.717 -0.614 . . . . 0.0 109.467 178.015 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.9 mm -77.86 -54.72 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 121.81 0.814 . . . . 0.0 110.96 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -59.62 -12.8 7.4 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 128.077 2.551 . . . . 0.0 113.719 -177.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.404 ' HB2' HG23 ' A' ' 33' ' ' THR . 86.8 mm-40 -97.33 -42.69 7.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 118.096 -0.954 . . . . 0.0 112.244 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.506 HD13 HD11 ' A' ' 10' ' ' ILE . 27.4 pt -63.87 -14.92 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 120.29 1.404 . . . . 0.0 112.57 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -76.24 -25.73 55.31 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.445 0.566 . . . . 0.0 109.673 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -107.28 -22.51 12.57 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 124.167 0.987 . . . . 0.0 111.593 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -80.97 101.26 9.39 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 102.341 -3.207 . . . . 0.0 102.341 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 m -69.79 176.21 3.78 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.388 0.613 . . . . 0.0 112.054 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.7 mtt -52.01 -36.83 51.29 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -70.13 -32.31 70.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.296 0.953 . . . . 0.0 111.249 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.52 -42.48 78.45 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 178.475 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.33 -31.49 72.12 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.58 -47.88 81.87 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.2 m -59.44 -28.69 67.19 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.405 1.082 . . . . 0.0 111.717 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.9 mt -78.59 12.85 1.84 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.148 0.979 . . . . 0.0 111.473 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.1 48.7 10.26 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 125.953 1.701 . . . . 0.0 110.768 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.0 mm -107.67 118.28 53.56 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -67.64 142.33 58.12 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.307 2.004 . . . . 0.0 108.095 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -48.3 -39.31 21.32 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.179 1.392 . . . . 0.0 114.634 -178.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -54.98 -52.8 61.97 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 125.091 1.356 . . . . 0.0 111.27 -177.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -82.71 -40.1 21.06 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 118.582 -0.723 . . . . 0.0 109.727 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -48.84 -48.36 41.83 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 124.534 1.134 . . . . 0.0 110.404 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -62.91 -25.3 68.26 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 118.701 -0.666 . . . . 0.0 111.157 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.11 -56.45 5.09 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 120.73 1.604 . . . . 0.0 109.717 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.409 HD12 ' CZ ' ' A' ' 14' ' ' PHE . 1.2 tt -56.83 -54.32 31.09 Favored 'Isoleucine or valine' 0 C--N 1.338 0.1 0 C-N-CA 124.119 0.967 . . . . 0.0 109.862 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -51.28 70.12 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 123.689 0.618 . . . . 0.0 110.822 -177.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -41.21 79.06 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.784 178.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.11 -50.75 64.51 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 124.344 0.974 . . . . 0.0 113.422 -178.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 5.9 tp -73.82 -38.99 51.71 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 CA-C-N 118.471 1.135 . . . . 0.0 112.187 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.95 -32.98 74.7 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -72.72 -39.37 67.0 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.455 1.102 . . . . 0.0 110.631 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -62.13 -55.43 28.92 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.123 1.369 . . . . 0.0 107.852 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -30.79 71.37 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.67 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -71.6 -20.91 61.92 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 117.975 -1.012 . . . . 0.0 113.274 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.0 mt . . . . . 0 N--CA 1.463 0.202 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -179.381 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.24 0.571 0 N-CA-C 104.144 -2.539 . . . . 0.0 104.144 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.8 mt -55.59 -23.82 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-O 118.508 -0.758 . . . . 0.0 111.524 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.1 m -49.85 -48.19 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 119.201 0.91 . . . . 0.0 111.042 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.2 m -65.49 -44.28 87.57 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 124.488 1.115 . . . . 0.0 110.793 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -62.22 -47.72 83.17 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.387 0.613 . . . . 0.0 109.443 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.506 ' HE2' HD13 ' A' ' 58' ' ' ILE . 3.7 m-30 -60.53 -44.9 95.56 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 125.489 1.516 . . . . 0.0 111.076 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.61 -43.61 80.34 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.8 mtp-105 -65.35 -44.9 86.24 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-O 118.444 -0.788 . . . . 0.0 110.431 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.2 mt -62.71 -26.35 68.63 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.982 0.81 . . . . 0.0 110.973 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.36 5.98 45.27 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 125.762 1.649 . . . . 0.0 110.276 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.3 m -68.02 148.26 51.27 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.733 -0.863 . . . . 0.0 109.462 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.5 m -129.87 -87.34 0.52 Allowed 'General case' 0 C--O 1.226 -0.178 0 CA-C-O 117.087 -1.435 . . . . 0.0 110.06 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.9 m -53.23 -28.18 25.94 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 121.276 1.853 . . . . 0.0 114.421 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.6 t -65.55 -33.95 77.11 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.0 0.818 . . . . 0.0 110.147 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -40.58 87.77 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 117.086 -1.435 . . . . 0.0 107.498 179.077 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -62.79 -40.91 98.79 Favored 'General case' 0 C--O 1.232 0.176 0 O-C-N 124.778 1.299 . . . . 0.0 111.721 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -64.54 -48.68 74.18 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -58.03 -44.56 87.42 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.0 p -66.76 -44.67 80.78 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 123.725 0.81 . . . . 0.0 110.734 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.11 -32.78 74.43 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 118.807 0.73 . . . . 0.0 110.455 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -74.42 -16.77 60.86 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 122.031 -0.418 . . . . 0.0 110.328 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 59.38 39.99 95.49 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 127.666 2.555 . . . . 0.0 113.153 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.8 22.25 5.0 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 124.729 1.212 . . . . 0.0 113.288 -178.494 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 t -85.81 118.55 25.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.363 0.601 . . . . 0.0 109.401 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.98 146.94 22.21 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.1 mm -79.8 -47.46 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-O 122.429 1.109 . . . . 0.0 110.106 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -57.88 -16.24 11.24 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 129.312 3.045 . . . . 0.0 111.815 -177.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -97.67 -46.36 6.03 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.686 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.5 pt -60.92 -21.55 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 120.429 1.468 . . . . 0.0 112.84 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.58 -27.82 65.44 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.944 1.247 . . . . 0.0 110.129 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -109.0 -23.27 11.77 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 117.949 -1.024 . . . . 0.0 113.674 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -66.26 125.45 25.61 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 119.77 1.168 . . . . 0.0 108.969 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.9 m -93.97 177.05 6.11 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.485 0.66 . . . . 0.0 109.867 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -49.29 -28.02 4.39 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 116.128 1.899 . . . . 0.0 116.128 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.1 -50.28 64.61 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 119.062 0.846 . . . . 0.0 111.086 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.24 -39.97 94.61 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.584 -179.097 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.0 mt -59.99 -51.18 70.77 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.13 87.28 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.1 t -56.43 -39.27 72.82 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.331 1.452 . . . . 0.0 111.107 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.5 mt -83.79 22.81 1.07 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.968 1.707 . . . . 0.0 113.132 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? 66.93 27.65 8.85 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.998 1.719 . . . . 0.0 113.472 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.4 mm -104.66 91.07 3.84 Favored Pre-proline 0 CA--C 1.545 0.755 0 N-CA-C 105.176 -2.157 . . . . 0.0 105.176 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -76.06 163.07 33.6 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.553 2.168 . . . . 0.0 111.892 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -50.42 -26.76 5.37 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.274 1.43 . . . . 0.0 113.985 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -54.77 -30.94 58.01 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.848 1.659 . . . . 0.0 110.496 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -128.42 -36.28 1.9 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.076 1.351 . . . . 0.0 112.172 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.29 -38.88 28.83 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 126.947 2.099 . . . . 0.0 114.556 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -68.8 -31.04 69.75 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 117.869 -1.063 . . . . 0.0 109.976 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.4 -49.61 32.53 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.625 0.77 . . . . 0.0 111.099 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.506 HD13 ' HE2' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -59.94 -52.45 60.97 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -59.76 -47.28 86.32 Favored 'General case' 0 N--CA 1.441 -0.91 0 O-C-N 123.858 0.723 . . . . 0.0 111.022 -177.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -59.94 -39.74 86.57 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 117.424 -1.274 . . . . 0.0 109.754 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.83 -51.98 51.67 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 119.033 0.833 . . . . 0.0 114.428 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.7 tp -69.63 -37.67 74.77 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 O-C-N 121.499 -1.001 . . . . 0.0 111.886 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.432 ' CD1' ' HE ' ' A' ' 66' ' ' ARG . 3.8 mm? -65.42 -31.72 72.96 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 178.347 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -39.52 75.13 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 118.315 0.507 . . . . 0.0 111.439 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -61.18 -53.17 60.31 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.432 ' HE ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -70.0 -23.14 63.1 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 119.122 -1.031 . . . . 0.0 111.174 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -79.86 -18.14 51.46 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.116 0.871 . . . . 0.0 110.1 179.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.1 mt . . . . . 0 CA--C 1.534 0.331 0 C-N-CA 124.646 1.178 . . . . 0.0 113.722 -179.362 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.238 0.478 0 N-CA-C 105.044 -2.206 . . . . 0.0 105.044 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.512 HD13 ' HB3' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -58.68 -18.76 13.23 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.111 0 C-N-CA 124.258 1.023 . . . . 0.0 110.768 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.2 m -51.53 -49.0 34.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 119.254 0.933 . . . . 0.0 110.849 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.4 m -63.74 -41.47 98.02 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.823 1.249 . . . . 0.0 110.595 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.512 ' HB3' HD13 ' A' ' 10' ' ' ILE . 56.5 t80 -65.41 -49.55 68.8 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.988 -178.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.454 ' CE2' HD12 ' A' ' 10' ' ' ILE . 8.1 m-30 -59.67 -39.82 85.75 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.008 0.923 . . . . 0.0 110.546 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.92 -44.78 87.07 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -66.31 -43.03 87.38 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.913 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.9 mt -62.19 -26.58 68.43 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 118.714 0.688 . . . . 0.0 110.904 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.94 7.97 60.81 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 125.345 1.45 . . . . 0.0 110.287 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.7 p -84.44 132.25 34.58 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-O 118.969 -0.539 . . . . 0.0 109.885 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.553 ' HA ' HD23 ' A' ' 23' ' ' LEU . 17.2 m -122.14 -48.59 2.1 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 117.418 -1.277 . . . . 0.0 113.225 -179.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -57.37 -36.78 71.67 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 120.862 1.665 . . . . 0.0 110.354 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.7 m -69.98 -34.57 73.52 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.708 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' A' ' 20' ' ' SER . 0.3 OUTLIER -66.74 -40.45 88.35 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.53 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -59.47 -51.06 71.49 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 124.511 1.124 . . . . 0.0 109.083 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -62.93 -49.42 74.83 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -59.46 -45.16 92.4 Favored 'General case' 0 C--O 1.236 0.375 0 O-C-N 120.93 -1.107 . . . . 0.0 113.068 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.1 p -64.21 -45.27 89.0 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.2 m -62.31 -41.78 98.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 118.259 -0.876 . . . . 0.0 109.775 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -66.72 -27.59 67.75 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 120.349 1.431 . . . . 0.0 109.326 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.16 31.49 54.98 Favored Glycine 0 C--N 1.34 0.773 0 C-N-CA 124.319 0.961 . . . . 0.0 112.889 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.82 27.5 6.01 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.842 1.257 . . . . 0.0 113.243 -177.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.81 118.29 26.11 Favored 'General case' 0 C--O 1.236 0.389 0 O-C-N 121.13 -0.981 . . . . 0.0 109.612 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.446 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -156.36 149.02 23.76 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.05 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mt -80.41 -53.56 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-O 122.478 1.132 . . . . 0.0 111.617 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -57.7 -30.74 65.75 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 125.441 1.496 . . . . 0.0 112.246 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.446 ' HB2' HG23 ' A' ' 33' ' ' THR . 43.1 mm-40 -72.85 -52.14 16.02 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 118.645 -0.693 . . . . 0.0 109.703 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.511 ' CD1' HD11 ' A' ' 10' ' ' ILE . 47.4 pt -63.9 -16.51 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 119.244 0.929 . . . . 0.0 112.555 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -66.89 -27.59 67.63 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -114.21 -22.92 9.72 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-O 117.475 -1.25 . . . . 0.0 112.835 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -71.12 105.51 3.41 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 104.288 -2.486 . . . . 0.0 104.288 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 m -69.85 175.07 4.58 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 122.192 0.996 . . . . 0.0 112.114 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -50.91 -31.77 18.6 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.1 1.36 . . . . 0.0 113.593 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -71.55 -50.44 31.12 Favored 'General case' 0 CA--C 1.526 0.057 0 C-N-CA 125.392 1.477 . . . . 0.0 111.238 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -38.84 85.59 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 mp -58.96 -51.57 69.51 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.24 91.21 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.146 0.43 . . . . 0.0 110.811 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.4 t -61.49 -36.0 79.27 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.632 1.573 . . . . 0.0 111.583 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 mt -75.91 27.15 0.11 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.42 1.888 . . . . 0.0 111.829 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp 69.13 -2.75 1.71 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 128.768 2.827 . . . . 0.0 113.278 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.2 mm -65.51 125.1 88.96 Favored Pre-proline 0 CA--C 1.538 0.507 0 O-C-N 121.246 -0.909 . . . . 0.0 111.012 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -69.3 145.24 59.16 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.097 1.865 . . . . 0.0 108.935 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -51.7 -39.98 59.32 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -178.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -62.03 -44.58 96.4 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -82.02 -43.98 17.25 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 118.876 -0.583 . . . . 0.0 109.472 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -38.69 60.27 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.114 0.87 . . . . 0.0 110.298 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -63.24 -38.0 89.44 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.432 0.693 . . . . 0.0 110.442 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.93 -51.37 62.24 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 119.274 0.943 . . . . 0.0 111.105 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.0 tt -61.46 -53.91 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -58.18 -57.26 13.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.075 0.859 . . . . 0.0 110.761 -178.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -57.23 -37.09 71.75 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 119.06 0.845 . . . . 0.0 110.269 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.19 -50.96 61.94 Favored Glycine 0 CA--C 1.524 0.654 0 CA-C-N 118.856 0.753 . . . . 0.0 111.798 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.6 tt -71.86 -40.67 69.12 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.658 0 CA-C-N 118.342 1.071 . . . . 0.0 111.7 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.1 -35.22 73.05 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -73.92 -37.93 64.46 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.807 0.813 . . . . 0.0 111.208 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -63.59 -55.29 24.84 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -30.03 70.96 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 118.887 -0.578 . . . . 0.0 110.045 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -72.8 -21.66 60.95 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.448 1.022 . . . . 0.0 111.978 178.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.5 mt . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -179.398 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--O 1.235 0.313 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 32' ' ' THR . 74.6 mt -49.26 -27.62 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 C-N-CA 125.46 1.504 . . . . 0.0 112.129 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 m -49.34 -47.05 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 119.454 1.025 . . . . 0.0 112.618 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 t -69.35 -41.14 76.99 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.423 0.63 . . . . 0.0 110.171 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -62.85 -46.84 86.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.467 0.651 . . . . 0.0 109.874 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -62.16 -37.5 85.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.965 1.306 . . . . 0.0 110.616 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.58 -45.81 88.28 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -62.65 -41.91 99.31 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 118.552 -0.737 . . . . 0.0 111.234 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.2 mt -62.91 -45.69 91.32 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.381 0.991 . . . . 0.0 109.829 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.04 30.88 5.85 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 125.168 1.366 . . . . 0.0 110.427 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.6 p -78.85 168.99 18.92 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.243 1.022 . . . . 0.0 109.262 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.3 m -133.32 -66.64 0.65 Allowed 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.196 0.453 . . . . 0.0 111.276 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.6 m -65.88 -32.9 74.68 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.252 0.549 . . . . 0.0 111.996 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.4 m -64.3 -42.28 96.46 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.059 0.944 . . . . 0.0 112.669 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -35.96 81.25 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 124.522 1.139 . . . . 0.0 110.136 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -63.43 -49.43 73.72 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -56.68 -54.38 46.76 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.942 0.776 . . . . 0.0 109.946 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -54.92 -52.03 64.2 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.1 p -61.17 -51.11 70.42 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.802 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.2 m -62.93 -36.17 82.53 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.306 0.957 . . . . 0.0 111.057 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -69.78 -17.69 63.44 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.19 0.904 . . . . 0.0 111.058 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.85 33.91 85.56 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 125.915 1.721 . . . . 0.0 112.984 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.74 21.67 8.33 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.037 1.335 . . . . 0.0 113.38 -177.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.437 ' HA ' HD12 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -84.8 119.21 25.05 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 121.442 -0.786 . . . . 0.0 108.904 -179.675 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -155.96 146.77 22.09 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 176.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.5 mm -79.44 -50.18 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-O 123.087 1.422 . . . . 0.0 111.326 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -60.1 -30.43 69.25 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.333 1.453 . . . . 0.0 111.531 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -76.2 -43.72 41.09 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 118.292 -0.861 . . . . 0.0 109.63 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.5 pt -64.92 -18.64 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 119.918 1.236 . . . . 0.0 111.999 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -72.38 -18.85 61.7 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -114.87 -24.56 8.6 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.308 0.958 . . . . 0.0 110.708 178.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -74.88 99.03 3.68 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.6 p -72.09 177.84 4.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.801 1.24 . . . . 0.0 112.682 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.8 ptm -53.01 -27.33 18.86 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.139 0.976 . . . . 0.0 113.552 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -75.9 -50.41 15.11 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.228 1.011 . . . . 0.0 111.024 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -34.24 77.28 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.6 mt -68.83 -49.06 61.62 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.58 -38.29 77.58 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.9 t -61.0 -39.46 89.79 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.441 1.496 . . . . 0.0 108.66 178.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.6 mt -71.57 13.01 0.28 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.506 1.522 . . . . 0.0 112.386 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? 73.76 8.54 4.91 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 129.083 2.953 . . . . 0.0 112.16 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.409 HG22 ' HB2' ' A' ' 55' ' ' ARG . 38.6 mm -70.39 114.34 25.25 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -67.26 145.04 70.85 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 121.388 1.392 . . . . 0.0 108.795 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -51.61 -35.11 40.3 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -58.18 -52.83 63.91 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.26 1.024 . . . . 0.0 109.653 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -76.96 -41.43 43.18 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.547 0.739 . . . . 0.0 110.147 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.409 ' HB2' HG22 ' A' ' 50' ' ' ILE . 8.0 tmm_? -48.15 -46.49 34.59 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.623 1.969 . . . . 0.0 111.15 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -62.38 -38.37 89.31 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.265 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.84 -50.04 72.51 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.903 1.229 . . . . 0.0 112.421 -178.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.0 tt -63.2 -54.17 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.648 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -62.3 -51.08 69.1 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 123.685 0.616 . . . . 0.0 112.347 -177.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -58.45 -41.52 85.31 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 117.993 -1.004 . . . . 0.0 109.363 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.04 -50.43 65.48 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 118.701 0.682 . . . . 0.0 112.169 -177.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.59 -42.64 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 CA-C-N 118.19 0.995 . . . . 0.0 111.677 -178.081 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.4 -34.95 79.11 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 118.937 -1.105 . . . . 0.0 108.674 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -72.04 -38.38 69.52 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.812 -0.555 . . . . 0.0 111.16 -178.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -66.38 -55.99 13.23 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 127.274 2.23 . . . . 0.0 109.193 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -31.05 72.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -75.02 -29.71 60.9 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 118.737 -1.185 . . . . 0.0 111.724 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.8 mt . . . . . 0 N--CA 1.469 0.482 0 CA-C-N 119.976 1.262 . . . . 0.0 113.494 -179.696 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.8 m . . . . . 0 C--O 1.235 0.319 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.54 HD13 ' HB3' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -54.31 -25.52 13.9 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 CA-C-O 117.253 -1.356 . . . . 0.0 113.349 -178.771 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 m -56.06 -45.6 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 120.051 1.296 . . . . 0.0 110.244 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 t -67.5 -41.08 85.05 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.285 0.634 . . . . 0.0 109.68 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.54 ' HB3' HD13 ' A' ' 10' ' ' ILE . 60.2 t80 -62.46 -48.14 80.95 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.566 ' HE2' HD13 ' A' ' 58' ' ' ILE . 5.7 m-30 -60.71 -39.04 87.09 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 117.853 -1.07 . . . . 0.0 110.715 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.9 -37.43 84.59 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 118.533 0.606 . . . . 0.0 109.626 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.6 mtm105 -75.3 -38.08 60.49 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.046 0.384 . . . . 0.0 110.379 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.7 mt -64.01 -41.15 97.55 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.3 6.3 20.28 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 125.928 1.728 . . . . 0.0 111.756 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.2 m -59.4 158.7 9.04 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.037 1.419 . . . . 0.0 111.018 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.0 t -133.06 -90.1 0.4 Allowed 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.85 -32.42 44.57 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.172 1.789 . . . . 0.0 113.102 -178.443 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.5 m -68.49 -26.85 65.67 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.25 -0.906 . . . . 0.0 111.824 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.83 -43.1 76.19 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.65 -45.61 88.95 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 126.105 1.762 . . . . 0.0 110.512 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -61.47 -53.99 49.26 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.72 -49.26 73.52 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.3 p -64.52 -39.02 93.01 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.036 0.934 . . . . 0.0 111.144 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.9 m -67.73 -37.39 82.12 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -74.58 -20.02 60.09 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.761 0.71 . . . . 0.0 110.24 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.69 35.33 91.88 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 127.132 2.301 . . . . 0.0 113.861 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.87 18.76 10.18 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.527 1.531 . . . . 0.0 113.248 -178.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.17 119.32 24.87 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.53 149.38 25.39 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.2 mt -79.14 -56.04 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 122.543 1.163 . . . . 0.0 112.634 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -62.59 -25.97 68.36 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 125.964 1.705 . . . . 0.0 113.611 -177.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -76.47 -53.75 7.68 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.525 HD12 HD11 ' A' ' 58' ' ' ILE . 24.5 pt -62.95 -14.26 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 118.788 0.722 . . . . 0.0 112.629 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -76.4 -20.11 57.46 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.993 0.917 . . . . 0.0 109.8 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -115.07 -23.06 9.21 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.823 1.649 . . . . 0.0 111.382 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -79.11 100.77 7.54 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 103.546 -2.761 . . . . 0.0 103.546 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.3 m -64.18 175.05 1.36 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.527 1.131 . . . . 0.0 112.183 -179.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 60.9 mtm -59.91 -28.75 67.86 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 120.883 -1.136 . . . . 0.0 110.74 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.15 -43.16 99.32 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.703 0.801 . . . . 0.0 109.288 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.15 -51.57 63.21 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 124.108 0.963 . . . . 0.0 109.024 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.7 mt -55.93 -45.73 78.67 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 123.786 0.834 . . . . 0.0 110.614 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.53 98.79 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 t -64.27 -29.08 70.18 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.591 -0.693 . . . . 0.0 110.51 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 mt -80.97 13.1 2.87 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.829 2.052 . . . . 0.0 111.35 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? 68.1 16.37 9.46 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 127.098 2.159 . . . . 0.0 112.675 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.9 mm -73.39 122.34 87.38 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -66.54 135.36 38.82 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.324 2.682 . . . . 0.0 110.893 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -41.22 -45.82 2.97 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.367 1.867 . . . . 0.0 115.149 -177.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -55.66 -51.39 67.42 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.97 0.908 . . . . 0.0 112.613 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -81.62 -43.9 17.97 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.12 0.968 . . . . 0.0 109.641 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.8 tmm_? -48.14 -53.43 16.75 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 126.756 2.022 . . . . 0.0 109.93 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -65.39 -30.67 71.51 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.318 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.81 -51.45 55.46 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 119.751 1.16 . . . . 0.0 111.485 -179.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.566 HD13 ' HE2' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -63.13 -52.36 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.849 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -55.97 -50.9 69.51 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 110.183 -178.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -57.15 -39.41 75.18 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 117.432 -1.271 . . . . 0.0 109.241 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.81 -51.18 59.02 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-N 119.692 1.133 . . . . 0.0 114.459 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.3 tt -70.79 -41.35 77.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-N 118.733 1.267 . . . . 0.0 110.552 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.68 -35.49 74.56 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.35 -31.52 64.01 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 125.616 1.566 . . . . 0.0 111.293 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -67.2 -50.22 61.72 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -69.07 -37.26 78.4 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 117.915 -1.514 . . . . 0.0 108.917 179.385 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.449 ' N ' ' HG2' ' A' ' 66' ' ' ARG . 22.7 tp60 -67.34 -19.7 65.48 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 124.266 0.979 . . . . 0.0 111.86 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.531 0.24 0 CA-C-N 119.662 1.119 . . . . 0.0 108.607 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.7 m . . . . . 0 C--O 1.237 0.409 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.501 HD11 ' CD1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -58.63 -28.43 36.85 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.333 178.93 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 m -52.92 -43.08 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 CA-C-N 118.922 0.783 . . . . 0.0 111.084 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -64.08 -41.28 97.37 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.856 0.462 . . . . 0.0 109.837 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -68.45 -48.81 63.58 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -60.04 -39.74 86.95 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 121.1 -1.0 . . . . 0.0 109.458 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.51 -38.18 88.94 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -64.23 -45.1 89.69 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.379 0.991 . . . . 0.0 108.48 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.2 mt -66.18 -23.98 66.55 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.059 0.845 . . . . 0.0 111.125 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.22 38.67 7.69 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 108.393 -1.883 . . . . 0.0 108.393 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.1 m -73.47 161.02 30.86 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.083 0.942 . . . . 0.0 110.761 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.4 t -127.8 -101.38 0.34 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 m -52.57 -29.92 28.1 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.56 1.544 . . . . 0.0 114.052 -178.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.3 m -62.58 -36.04 81.42 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.07 0.395 . . . . 0.0 111.071 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -38.82 82.19 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.091 0.956 . . . . 0.0 108.881 -179.149 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -63.85 -50.84 67.26 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.904 1.682 . . . . 0.0 108.803 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -56.88 -48.81 77.3 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.565 0.62 . . . . 0.0 109.479 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.29 -45.4 91.36 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.5 t -72.02 -34.53 68.91 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 118.307 0.503 . . . . 0.0 110.533 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.4 -36.95 84.14 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.378 0.99 . . . . 0.0 109.197 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -76.82 -27.19 55.09 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 118.774 -0.631 . . . . 0.0 111.952 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.02 37.85 49.12 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 123.89 0.757 . . . . 0.0 112.69 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.67 28.67 2.67 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.895 1.278 . . . . 0.0 112.457 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . 0.273 3.6 t -84.8 116.68 23.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 120.914 -1.116 . . . . 0.0 109.98 -177.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.484 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -157.09 147.73 21.43 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 121.398 -0.813 . . . . 0.0 111.408 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 mt -79.91 -51.52 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 122.62 1.2 . . . . 0.0 109.761 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -56.67 -27.35 58.53 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 126.676 1.99 . . . . 0.0 111.953 -177.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.484 ' HB2' HG23 ' A' ' 33' ' ' THR . 19.4 mm100 -82.18 -51.14 8.25 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 117.71 -1.138 . . . . 0.0 110.459 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.501 ' CD1' HD11 ' A' ' 10' ' ' ILE . 44.7 pt -60.72 -23.31 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 119.592 1.087 . . . . 0.0 110.831 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.03 -29.81 65.63 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.434 1.094 . . . . 0.0 109.252 178.297 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -114.73 -23.11 9.36 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.999 0.919 . . . . 0.0 112.637 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.441 ' HB2' ' HA ' ' A' ' 37' ' ' ILE . 8.6 m-85 -73.74 105.7 5.16 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 105.669 -1.974 . . . . 0.0 105.669 177.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 m -74.05 177.29 5.79 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.445 -0.785 . . . . 0.0 109.744 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -51.5 -22.23 3.0 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -68.6 -48.37 64.32 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.941 1.246 . . . . 0.0 109.626 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -46.15 89.08 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.7 mp -56.95 -43.24 81.35 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.86 -48.3 81.16 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.694 -1.254 . . . . 0.0 109.915 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.0 m -65.48 -20.55 66.4 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.394 -0.816 . . . . 0.0 112.258 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.1 mt -89.16 15.8 8.25 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.253 1.421 . . . . 0.0 111.592 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 71.11 25.65 3.63 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 127.139 2.176 . . . . 0.0 112.401 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.8 mm -100.12 98.65 7.91 Favored Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 105.606 -1.998 . . . . 0.0 105.606 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.55 158.18 44.09 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.173 2.582 . . . . 0.0 110.888 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -37.39 12.08 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.031 1.333 . . . . 0.0 113.438 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -54.53 -24.25 19.97 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.852 2.061 . . . . 0.0 113.322 -178.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -127.83 -40.65 1.7 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.337 1.055 . . . . 0.0 109.989 178.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -47.33 -40.72 17.81 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 126.638 1.975 . . . . 0.0 111.658 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -64.16 -31.4 72.58 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 117.496 -1.24 . . . . 0.0 110.767 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.16 -48.85 31.88 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 120.049 1.295 . . . . 0.0 111.479 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 tt -60.66 -52.84 56.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -62.62 -56.13 20.65 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 123.725 0.641 . . . . 0.0 110.557 -177.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -57.87 -40.54 80.44 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 118.465 -0.779 . . . . 0.0 110.847 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.3 -49.25 80.67 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 119.329 0.968 . . . . 0.0 112.971 -178.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.76 -41.03 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 122.062 -0.669 . . . . 0.0 109.275 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.22 -32.59 73.28 Favored 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -72.03 -37.17 69.78 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.31 1.044 . . . . 0.0 109.458 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -67.36 -56.98 7.48 Favored 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 125.025 1.33 . . . . 0.0 109.347 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.62 -31.48 72.33 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 123.594 0.559 . . . . 0.0 110.491 -179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -72.1 -38.66 69.29 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 118.536 0.607 . . . . 0.0 110.276 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 C--O 1.236 0.357 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -178.657 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.477 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.98 169.35 13.56 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 122.841 2.361 . . . . 0.0 109.602 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.9 tp -134.65 75.56 1.59 Allowed 'General case' 0 C--O 1.237 0.414 0 CA-C-O 122.301 1.048 . . . . 0.0 110.119 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.99 -77.21 2.07 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 107.82 -2.112 . . . . 0.0 107.82 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -75.99 165.02 25.57 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.213 1.005 . . . . 0.0 109.11 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.6 m -155.99 -37.13 0.08 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.887 0.875 . . . . 0.0 110.052 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -154.74 123.18 6.04 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 83.6 m -122.42 93.46 3.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 119.809 1.186 . . . . 0.0 112.506 -178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.3 m -142.77 173.91 11.12 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.803 1.241 . . . . 0.0 108.261 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.42 HG22 ' CD2' ' A' ' 14' ' ' PHE . 25.3 mt -60.74 -23.09 27.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 123.96 0.904 . . . . 0.0 109.875 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.2 m -48.54 -52.5 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 119.184 0.902 . . . . 0.0 110.836 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.4 t -65.28 -34.74 79.07 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 122.293 1.044 . . . . 0.0 111.494 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -69.23 -38.49 78.54 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 122.876 1.322 . . . . 0.0 110.597 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.42 ' CD2' HG22 ' A' ' 10' ' ' ILE . 3.6 m-30 -72.68 -38.72 67.51 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 120.316 -1.49 . . . . 0.0 108.762 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.0 -50.2 71.53 Favored 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 124.198 0.936 . . . . 0.0 108.5 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -63.25 -47.93 80.37 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.8 mt -61.66 -32.75 72.94 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.347 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.67 4.32 34.42 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 125.286 1.422 . . . . 0.0 109.898 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.6 m -66.78 127.27 31.83 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.8 t -110.66 -85.13 0.55 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.135 0.974 . . . . 0.0 111.266 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 m -52.27 -32.46 37.42 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.898 1.226 . . . . 0.0 113.736 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.3 m -66.56 -30.92 71.34 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.57 -0.706 . . . . 0.0 111.6 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.24 -39.23 65.64 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -58.76 -50.29 74.46 Favored 'General case' 0 CA--C 1.516 -0.339 0 O-C-N 125.05 1.469 . . . . 0.0 108.039 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -58.07 -50.64 72.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -51.65 67.27 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.8 t -66.26 -34.9 79.04 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.549 0.613 . . . . 0.0 110.095 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.6 m -65.61 -43.3 90.04 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -66.67 -27.56 67.76 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.275 0.943 . . . . 0.0 108.904 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.75 21.02 64.56 Favored Glycine 0 C--N 1.342 0.883 0 C-N-CA 124.527 1.061 . . . . 0.0 113.553 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.18 28.77 8.17 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.461 1.905 . . . . 0.0 112.358 -178.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 t -89.08 119.29 29.46 Favored 'General case' 0 CA--C 1.519 -0.217 0 O-C-N 120.234 -1.541 . . . . 0.0 108.647 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.454 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -156.26 148.23 23.12 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 178.666 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -79.03 -54.22 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 122.039 0.923 . . . . 0.0 112.473 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -62.23 -24.59 67.33 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.639 0.776 . . . . 0.0 111.997 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.454 ' HB2' HG23 ' A' ' 33' ' ' THR . 70.2 mm-40 -75.75 -48.27 22.49 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 118.165 -0.921 . . . . 0.0 109.892 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.6 pt -60.78 -25.15 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 120.385 1.448 . . . . 0.0 111.551 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -69.32 -19.1 63.88 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.23 1.012 . . . . 0.0 110.037 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.94 -22.98 9.83 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.387 1.475 . . . . 0.0 111.087 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -86.46 96.78 10.16 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.11 1.364 . . . . 0.0 108.352 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.56 173.97 3.07 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.592 1.157 . . . . 0.0 111.018 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -49.01 -27.57 3.29 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.591 1.957 . . . . 0.0 114.334 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.5 -43.3 49.8 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.625 0.77 . . . . 0.0 112.701 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -45.07 91.2 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.1 mt -58.72 -44.37 90.4 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.657 1.183 . . . . 0.0 108.368 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.33 94.35 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.5 m -67.0 -16.27 64.26 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.184 0.593 . . . . 0.0 112.146 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.74 7.81 13.93 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.593 1.157 . . . . 0.0 108.829 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? 71.92 27.01 2.83 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 127.452 2.301 . . . . 0.0 110.861 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.2 mm -91.51 117.81 68.02 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.6 148.09 41.57 Favored 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 123.38 2.72 . . . . 0.0 112.2 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -36.39 17.27 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.185 2.194 . . . . 0.0 113.191 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -55.15 -28.17 50.89 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.707 0.803 . . . . 0.0 112.26 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -117.57 -43.96 2.78 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.931 0.892 . . . . 0.0 109.934 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -44.94 -54.99 5.89 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.98 2.112 . . . . 0.0 113.938 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -65.95 -30.01 70.51 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 119.067 -1.053 . . . . 0.0 110.705 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.77 -49.38 59.11 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 119.399 1.0 . . . . 0.0 109.592 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.3 tt -54.7 -50.0 63.66 Favored 'Isoleucine or valine' 0 C--O 1.244 0.768 0 CA-C-N 119.711 1.141 . . . . 0.0 110.048 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -64.79 -46.17 83.18 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 113.953 -1.476 . . . . 0.0 110.303 -178.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -59.57 -42.0 91.45 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 116.906 -1.521 . . . . 0.0 110.583 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.86 -50.74 62.78 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 119.441 1.019 . . . . 0.0 111.754 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.3 tp -69.3 -42.92 81.49 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.98 -32.52 74.09 Favored 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.5 -36.88 71.26 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -65.83 -56.33 12.44 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 123.403 0.681 . . . . 0.0 109.261 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -64.07 -25.41 68.1 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.325 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -76.7 -40.27 49.33 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.307 0.958 . . . . 0.0 110.012 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.8 mt -80.42 -13.01 59.49 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 117.807 -1.092 . . . . 0.0 113.528 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.16 -178.12 4.2 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 120.142 1.337 . . . . 0.0 111.275 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 CA--C 1.503 -0.851 0 C-N-CA 124.702 1.201 . . . . 0.0 109.021 -179.694 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.704 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.24 170.11 20.64 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 122.042 1.828 . . . . 0.0 108.459 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 tp -160.08 171.69 18.83 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.86 36.27 25.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 121.813 -0.554 . . . . 0.0 112.735 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 p -66.32 98.72 0.49 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.593 1.557 . . . . 0.0 111.348 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.0 m -67.82 137.73 55.57 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.6 p-10 -152.51 171.87 17.43 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 124.441 1.096 . . . . 0.0 110.626 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.6 m -135.34 127.15 29.29 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.631 1.172 . . . . 0.0 107.872 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.3 m -159.43 169.32 24.18 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.691 1.597 . . . . 0.0 107.828 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 mm -52.63 -29.72 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 117.617 -1.183 . . . . 0.0 112.756 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.5 m -50.35 -47.79 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 O-C-N 124.126 0.891 . . . . 0.0 110.877 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 t -60.75 -41.39 95.33 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.546 1.138 . . . . 0.0 110.243 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -66.79 -51.83 51.12 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.663 0.785 . . . . 0.0 110.438 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.54 -41.66 97.67 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.754 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.9 -48.69 80.68 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -62.57 -47.32 84.36 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.468 -0.77 . . . . 0.0 111.728 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.89 -31.0 72.03 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.166 0.439 . . . . 0.0 110.778 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.24 21.26 23.08 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 125.113 1.339 . . . . 0.0 110.174 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 39.3 m -60.98 143.64 54.86 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.151 0.975 . . . . 0.0 109.681 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.6 t -110.94 -111.75 0.33 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.463 1.105 . . . . 0.0 109.287 -179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 m -52.15 -21.41 3.28 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.073 1.749 . . . . 0.0 114.952 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 57.1 m -65.14 -30.32 71.24 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.293 -0.879 . . . . 0.0 109.666 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.37 -42.63 87.68 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 178.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -58.02 -44.59 87.4 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 126.573 1.949 . . . . 0.0 109.562 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 -63.14 -51.98 64.34 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.42 ' HB3' HG22 ' A' ' 32' ' ' THR . 1.1 m-85 -55.13 -50.16 69.97 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.0 t -60.55 -38.5 84.69 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.026 0.83 . . . . 0.0 109.319 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.0 m -63.75 -31.39 72.55 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.332 -0.855 . . . . 0.0 109.707 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -80.78 -24.47 38.58 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 120.901 -1.124 . . . . 0.0 110.314 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.64 39.73 97.87 Favored Glycine 0 C--N 1.342 0.87 0 CA-C-N 119.702 1.137 . . . . 0.0 112.294 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 pp -141.9 34.74 1.57 Allowed 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.779 1.232 . . . . 0.0 111.796 -178.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.42 HG22 ' HB3' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -84.24 117.52 23.58 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 -179.719 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.411 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -156.7 147.78 22.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.803 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 mt -79.61 -51.74 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 122.345 1.069 . . . . 0.0 111.762 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -56.0 -23.6 33.79 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 126.462 1.905 . . . . 0.0 111.936 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HB2' HG23 ' A' ' 33' ' ' THR . 46.3 mm-40 -86.76 -43.33 12.62 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 117.803 -1.094 . . . . 0.0 110.673 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.8 pt -62.48 -23.48 32.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 120.04 1.291 . . . . 0.0 110.771 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.4 -17.2 63.64 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.544 1.066 . . . . 0.0 110.222 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -114.83 -22.35 9.69 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.642 1.177 . . . . 0.0 113.285 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -76.41 151.66 36.48 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -114.01 175.12 5.61 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 123.778 0.831 . . . . 0.0 110.867 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.5 ptp -49.66 -31.1 10.25 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.55 1.54 . . . . 0.0 113.163 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.62 -41.65 92.44 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 126.35 1.86 . . . . 0.0 111.814 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.68 -43.24 48.37 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.7 mt -55.23 -41.0 71.51 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.35 -46.42 83.55 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.3 t -56.81 -43.41 80.94 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.054 0.942 . . . . 0.0 110.168 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.7 mt -76.55 29.22 0.12 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.691 1.996 . . . . 0.0 112.043 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt 65.27 11.14 7.03 Favored 'General case' 0 N--CA 1.46 0.056 0 C-N-CA 127.738 2.415 . . . . 0.0 116.17 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.3 mt -84.66 104.78 4.98 Favored Pre-proline 0 CA--C 1.549 0.908 0 CA-C-N 120.955 1.707 . . . . 0.0 111.527 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -78.28 159.62 29.59 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.883 2.389 . . . . 0.0 110.815 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.414 ' HA ' ' HB3' ' A' ' 55' ' ' ARG . 1.2 pm0 -55.85 -27.23 50.55 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -58.3 -23.14 55.44 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.836 0.744 . . . . 0.0 111.918 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -128.21 -32.97 2.2 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.045 1.338 . . . . 0.0 111.907 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.414 ' HB3' ' HA ' ' A' ' 52' ' ' GLU . 49.1 ttp180 -51.63 -38.24 53.81 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 126.026 1.731 . . . . 0.0 111.105 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -64.57 -33.81 76.78 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-O 118.81 -0.614 . . . . 0.0 110.331 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.56 -51.18 59.27 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 119.618 1.099 . . . . 0.0 111.891 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.8 tt -61.2 -53.88 42.85 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 123.48 0.712 . . . . 0.0 109.502 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -59.32 -56.85 16.86 Favored 'General case' 0 N--CA 1.441 -0.894 0 O-C-N 124.353 1.033 . . . . 0.0 110.871 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -57.51 -39.39 76.41 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 118.785 -0.626 . . . . 0.0 110.824 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.89 -50.36 68.4 Favored Glycine 0 CA--C 1.523 0.589 0 CA-C-N 119.407 1.003 . . . . 0.0 112.339 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 5.6 tp -74.15 -39.02 49.64 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.636 0 CA-C-O 119.089 -0.482 . . . . 0.0 111.888 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.46 -32.64 74.15 Favored 'General case' 0 C--O 1.223 -0.299 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -72.33 -40.38 67.48 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -63.55 -56.86 12.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.688 1.195 . . . . 0.0 108.738 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -26.6 68.74 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 118.687 -0.673 . . . . 0.0 110.564 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -78.62 -21.83 47.89 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.249 0.931 . . . . 0.0 110.827 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.8 mt -112.54 -1.65 14.85 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.61 135.73 47.2 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 121.711 2.05 . . . . 0.0 108.465 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t70 . . . . . 0 C--O 1.25 1.122 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 178.898 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.721 0 N-CA-C 110.201 -1.16 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -70.12 174.18 10.2 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 122.917 2.411 . . . . 0.0 111.398 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp -95.71 -91.26 0.22 Allowed 'General case' 0 C--O 1.233 0.208 0 N-CA-C 105.306 -2.109 . . . . 0.0 105.306 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.09 160.92 9.84 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 128.083 2.754 . . . . 0.0 108.194 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.9 m -87.99 -172.21 3.73 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.678 1.191 . . . . 0.0 108.553 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.8 m -63.38 156.03 27.13 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 49.39 32.88 4.9 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 127.032 2.133 . . . . 0.0 113.336 178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.6 t -76.89 -67.45 0.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.9 m -135.6 156.94 48.06 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 123.628 0.771 . . . . 0.0 109.85 -178.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.457 HD11 ' CD1' ' A' ' 37' ' ' ILE . 7.0 mm -52.16 -27.68 10.1 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 C-N-CA 124.58 1.152 . . . . 0.0 114.109 -178.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -53.47 -45.64 58.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 118.345 0.521 . . . . 0.0 110.315 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -74.41 -35.42 63.42 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 124.114 0.966 . . . . 0.0 110.966 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -63.24 -48.51 77.93 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.625 ' HE2' HD13 ' A' ' 58' ' ' ILE . 4.1 m-30 -61.76 -35.83 79.26 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.38 97.46 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -68.77 -44.25 74.08 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.861 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.98 -39.16 93.87 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.6 11.3 17.54 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 125.673 1.606 . . . . 0.0 112.213 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 t -57.32 159.08 4.91 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.862 1.331 . . . . 0.0 111.864 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.3 t -125.5 -105.45 0.34 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.702 1.201 . . . . 0.0 109.048 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.8 m -52.25 -28.08 17.39 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 116.585 2.069 . . . . 0.0 116.585 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.3 m -72.04 -24.14 61.49 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 120.173 1.351 . . . . 0.0 111.51 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -41.49 67.93 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 177.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.56 -45.99 90.41 Favored 'General case' 0 CA--C 1.515 -0.372 0 O-C-N 123.616 0.572 . . . . 0.0 110.185 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -56.1 -47.61 77.74 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -57.55 -50.71 72.19 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.268 0.485 . . . . 0.0 111.0 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.9 p -61.38 -45.3 94.94 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.264 0.938 . . . . 0.0 111.231 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.5 m -62.96 -28.95 70.44 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.938 1.695 . . . . 0.0 110.301 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -84.95 -23.35 28.83 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.09 0.956 . . . . 0.0 111.824 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.14 40.53 71.71 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.929 1.252 . . . . 0.0 113.071 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.03 23.66 4.2 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.099 1.759 . . . . 0.0 113.167 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.74 118.37 23.86 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 120.964 -1.085 . . . . 0.0 109.123 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.98 146.74 22.03 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 177.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.2 mm -79.13 -55.6 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-O 122.803 1.287 . . . . 0.0 112.065 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -59.25 -20.27 52.74 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 126.441 1.896 . . . . 0.0 113.106 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -85.33 -42.33 14.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 118.566 -0.731 . . . . 0.0 112.616 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.457 ' CD1' HD11 ' A' ' 10' ' ' ILE . 16.2 pt -62.34 -19.36 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 119.69 1.132 . . . . 0.0 111.058 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -75.98 -12.06 60.07 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 118.985 0.811 . . . . 0.0 112.205 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -114.04 -23.58 9.47 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.803 0.841 . . . . 0.0 110.302 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -79.25 96.12 5.84 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.506 1.122 . . . . 0.0 108.248 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.2 m -67.16 173.98 3.47 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 122.422 1.106 . . . . 0.0 110.734 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 77.4 mtm -55.25 -31.05 61.23 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.393 1.077 . . . . 0.0 113.073 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -61.33 -50.33 73.4 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 118.912 0.778 . . . . 0.0 110.369 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -41.69 88.77 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 122.729 0.412 . . . . 0.0 109.97 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.6 mt -58.92 -51.22 70.99 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.83 -32.13 72.43 Favored 'General case' 0 C--O 1.238 0.474 0 O-C-N 121.223 -0.923 . . . . 0.0 112.081 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.5 t -67.81 -39.73 83.93 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.552 1.541 . . . . 0.0 109.748 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.2 mt -70.76 23.85 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 128.394 2.678 . . . . 0.0 113.536 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm 67.36 10.15 7.52 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 128.839 2.856 . . . . 0.0 112.949 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.2 mm -73.46 122.15 86.91 Favored Pre-proline 0 C--O 1.238 0.481 0 C-N-CA 124.321 1.048 . . . . 0.0 109.431 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.17 147.56 54.18 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 N-CA-C 107.583 -1.737 . . . . 0.0 107.583 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -51.56 -39.66 58.25 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 124.701 1.2 . . . . 0.0 113.996 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -56.41 -53.24 59.72 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.957 1.303 . . . . 0.0 112.234 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -76.38 -43.77 39.18 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.9 ttp85 -48.55 -47.18 39.58 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.32 1.048 . . . . 0.0 111.109 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -61.24 -35.53 77.51 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.351 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.59 -44.45 64.44 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 119.326 0.967 . . . . 0.0 112.219 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.625 HD13 ' HE2' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -64.44 -51.65 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 CA-C-N 118.941 0.792 . . . . 0.0 108.969 179.796 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -58.24 -44.57 88.34 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.172 -178.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -62.33 -40.64 97.0 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.379 178.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.13 -50.82 63.76 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 119.87 1.214 . . . . 0.0 112.288 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.9 tp -70.43 -41.74 78.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 118.658 -0.687 . . . . 0.0 112.134 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.97 -32.44 72.89 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -71.32 -39.41 71.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.258 0.552 . . . . 0.0 110.015 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -68.32 -52.63 31.31 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.486 1.115 . . . . 0.0 111.047 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -31.1 72.17 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 118.099 -0.953 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -77.27 -30.51 54.35 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 118.361 -1.335 . . . . 0.0 111.402 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.7 mt -68.64 -46.9 67.99 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 124.4 1.08 . . . . 0.0 111.242 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.01 -175.46 4.56 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.184 0.594 . . . . 0.0 111.957 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.5 t0 . . . . . 0 C--O 1.245 0.831 0 C-N-CA 126.338 1.855 . . . . 0.0 107.813 -178.666 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.474 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -63.55 175.66 2.68 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 123.05 2.5 . . . . 0.0 112.377 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.9 mt -109.05 175.2 5.54 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.729 1.612 . . . . 0.0 108.98 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.51 49.9 0.05 OUTLIER Glycine 0 C--N 1.337 0.624 0 CA-C-O 118.438 -1.201 . . . . 0.0 115.236 178.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.99 -62.07 1.95 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.064 1.432 . . . . 0.0 109.75 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 m -96.13 135.25 38.18 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -76.7 -56.48 4.57 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 34.0 m -75.59 80.15 2.59 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.271 1.428 . . . . 0.0 109.795 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.7 t -157.6 155.87 30.89 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.32 1.448 . . . . 0.0 107.477 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 32' ' ' THR . 54.2 mt -58.33 -22.02 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 125.109 1.364 . . . . 0.0 110.356 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.2 m -48.89 -48.38 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.061 0.846 . . . . 0.0 112.453 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 t -65.05 -41.71 94.94 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 125.135 1.374 . . . . 0.0 109.888 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -61.8 -47.29 85.8 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.416 ' HZ ' HD12 ' A' ' 58' ' ' ILE . 6.7 m-30 -64.09 -36.38 83.84 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.69 1.196 . . . . 0.0 109.679 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.15 -35.44 80.29 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -71.9 -48.84 42.8 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.4 mt -62.96 -36.25 82.83 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.889 0.875 . . . . 0.0 112.612 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.68 15.69 14.58 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 125.757 1.646 . . . . 0.0 110.913 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -81.61 104.46 12.04 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.952 1.376 . . . . 0.0 107.676 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.2 m -84.13 -82.77 0.16 Allowed 'General case' 0 C--O 1.234 0.244 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -23.11 22.95 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.277 1.031 . . . . 0.0 113.681 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.3 m -66.48 -33.93 76.8 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 120.983 -1.073 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 pp -71.19 -35.95 71.76 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -61.43 -45.09 95.77 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 123.965 0.906 . . . . 0.0 109.576 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -59.18 -49.84 76.32 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -59.75 -53.39 58.55 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.403 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.0 p -52.64 -41.11 63.46 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 120.986 1.721 . . . . 0.0 111.463 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.1 m -65.99 -39.31 90.2 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.056 0.844 . . . . 0.0 110.133 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -68.95 -14.58 63.12 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 120.381 1.446 . . . . 0.0 111.321 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.89 31.11 77.22 Favored Glycine 0 C--N 1.342 0.862 0 C-N-CA 124.963 1.268 . . . . 0.0 113.421 178.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 pp -126.92 22.13 6.79 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.806 1.242 . . . . 0.0 113.446 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.497 ' HA ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -84.89 118.35 24.46 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 179.406 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -156.67 148.13 22.42 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.446 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.4 mt -78.74 -54.96 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 122.134 0.968 . . . . 0.0 111.009 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.85 -25.92 61.34 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 126.772 2.029 . . . . 0.0 112.953 -177.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.483 ' HB2' HG23 ' A' ' 33' ' ' THR . 31.6 mm-40 -79.27 -53.65 6.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 118.3 -0.857 . . . . 0.0 109.703 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.2 pt -60.44 -25.88 35.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-N 119.008 0.822 . . . . 0.0 110.414 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.71 -27.21 69.1 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.03 0.832 . . . . 0.0 110.973 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -111.53 -22.06 11.44 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.017 0.927 . . . . 0.0 113.007 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -77.78 115.62 17.67 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.8 m -70.43 164.97 23.5 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.63 -0.669 . . . . 0.0 109.955 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.0 ptm -54.58 -26.85 34.95 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.34 -45.36 94.76 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 125.687 1.595 . . . . 0.0 109.769 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -42.53 89.01 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 124.723 1.209 . . . . 0.0 109.695 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.6 mp -60.01 -42.71 94.92 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.68 92.08 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.254 -0.904 . . . . 0.0 108.778 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 72.8 m -65.95 -21.12 66.41 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.232 -0.918 . . . . 0.0 110.617 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.2 mt -91.3 19.38 6.04 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.074 1.35 . . . . 0.0 109.824 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt 67.87 13.47 9.19 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 128.586 2.755 . . . . 0.0 114.143 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.1 mm -72.85 120.9 83.38 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.02 138.53 37.2 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.23 2.62 . . . . 0.0 109.763 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.04 -43.99 3.41 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 127.83 2.452 . . . . 0.0 113.733 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -54.46 -49.94 68.87 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 123.91 0.884 . . . . 0.0 111.603 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -87.34 -40.5 14.39 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.24 0.616 . . . . 0.0 111.085 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -48.67 -41.81 32.61 Favored 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 126.357 1.863 . . . . 0.0 110.291 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -62.78 -38.0 88.91 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 118.629 -0.7 . . . . 0.0 111.045 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.22 -45.29 73.71 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 119.474 1.034 . . . . 0.0 111.865 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.416 HD12 ' HZ ' ' A' ' 14' ' ' PHE . 1.8 tt -61.87 -49.85 82.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 O-C-N 121.321 -0.862 . . . . 0.0 109.198 179.002 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -61.3 -56.7 17.54 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 124.44 1.088 . . . . 0.0 110.919 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -57.37 -44.99 84.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 118.462 -0.78 . . . . 0.0 110.55 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.39 -50.23 57.33 Favored Glycine 0 C--N 1.335 0.474 0 CA-C-N 118.819 0.736 . . . . 0.0 112.295 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -75.01 -39.8 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-O 118.842 -0.599 . . . . 0.0 112.023 -178.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.89 -34.45 77.98 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 119.734 -0.786 . . . . 0.0 108.939 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.87 -35.32 64.71 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -62.86 -56.85 13.66 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -30.31 71.4 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-O 119.114 -0.469 . . . . 0.0 110.493 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -67.32 -31.69 72.15 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 119.553 -0.859 . . . . 0.0 109.47 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 86.4 mt -97.6 -19.32 18.39 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 114.868 1.432 . . . . 0.0 114.868 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -125.02 95.57 4.55 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 127.229 2.212 . . . . 0.0 106.655 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.247 0.946 0 C-N-CA 125.656 1.582 . . . . 0.0 111.731 -179.579 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.667 0 CA-C-O 119.211 -0.772 . . . . 0.0 111.497 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -86.56 -26.12 1.08 Allowed 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 122.528 2.152 . . . . 0.0 113.273 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 mp -120.14 157.14 29.64 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.98 1.312 . . . . 0.0 109.616 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.9 47.49 0.02 OUTLIER Glycine 0 CA--C 1.523 0.593 0 CA-C-O 119.153 -0.804 . . . . 0.0 111.343 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.9 m -78.61 131.51 36.74 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 118.048 0.924 . . . . 0.0 108.857 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.0 p -95.19 29.74 2.38 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.571 1.148 . . . . 0.0 111.53 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.3 155.13 39.65 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 121.33 -0.856 . . . . 0.0 111.655 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.87 123.78 24.08 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.7 m -168.14 163.71 13.33 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.677 1.191 . . . . 0.0 109.439 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.404 ' CD1' HD13 ' A' ' 37' ' ' ILE . 40.1 mm -49.36 -29.23 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.773 1.629 . . . . 0.0 111.728 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -48.77 -48.88 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 t -67.42 -41.55 84.65 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 122.946 0.498 . . . . 0.0 111.442 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -63.27 -48.27 78.87 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.474 0.71 . . . . 0.0 109.683 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -62.8 -43.93 97.49 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.889 1.276 . . . . 0.0 110.277 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.14 -43.23 82.23 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -63.42 -49.65 72.91 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 118.635 0.652 . . . . 0.0 110.791 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.76 -38.54 88.39 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 117.783 0.265 . . . . 0.0 110.684 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.89 10.42 20.99 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 126.158 1.837 . . . . 0.0 111.079 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.8 m -79.27 102.99 8.89 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 105.144 -2.169 . . . . 0.0 105.144 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.7 t -87.57 -71.89 0.55 Allowed 'General case' 0 CA--C 1.527 0.095 0 CA-C-N 118.839 0.745 . . . . 0.0 112.384 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -52.45 -31.04 32.76 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.49 1.041 . . . . 0.0 112.67 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.4 m -63.28 -31.44 72.59 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 121.598 -0.689 . . . . 0.0 111.311 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.74 -38.83 73.56 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -60.78 -44.23 97.05 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -60.64 -51.69 68.32 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -56.75 -42.78 79.9 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.1 p -71.69 -39.84 69.96 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.691 0.796 . . . . 0.0 111.323 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.0 m -65.25 -40.65 94.28 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -71.73 -14.57 62.05 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.92 -0.488 . . . . 0.0 112.133 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.1 27.39 72.26 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 126.383 1.944 . . . . 0.0 113.878 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 pp -117.1 19.22 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 125.574 1.55 . . . . 0.0 112.996 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.33 115.88 22.72 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.36 148.11 21.34 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 177.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 mm -79.5 -55.45 9.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-O 122.396 1.093 . . . . 0.0 112.136 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -59.62 -18.49 41.96 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 126.697 1.999 . . . . 0.0 113.445 -177.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -85.27 -47.78 9.73 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 118.067 -0.968 . . . . 0.0 109.38 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.411 HG21 HD11 ' A' ' 58' ' ' ILE . 16.7 pt -63.98 -22.65 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 119.823 1.192 . . . . 0.0 111.468 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -63.44 -27.48 69.31 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.413 1.485 . . . . 0.0 109.69 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -114.44 -22.14 10.0 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.662 1.985 . . . . 0.0 113.276 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -76.04 98.83 4.42 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 m -70.81 172.23 9.21 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.641 0.776 . . . . 0.0 109.465 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -48.4 -34.32 10.65 Favored 'General case' 0 C--O 1.227 -0.118 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -177.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.66 -50.22 73.88 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.572 1.149 . . . . 0.0 110.107 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.94 -43.58 78.8 Favored 'General case' 0 CA--C 1.517 -0.312 0 O-C-N 121.749 -0.594 . . . . 0.0 110.822 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 mt -58.35 -48.61 80.01 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.02 97.91 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 119.203 -0.427 . . . . 0.0 110.366 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -63.82 -26.4 68.61 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.266 0.485 . . . . 0.0 111.273 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.5 mt -76.5 10.99 1.78 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.498 1.519 . . . . 0.0 110.59 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? 74.55 3.19 4.24 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 129.385 3.074 . . . . 0.0 113.112 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.8 mm -65.74 115.48 22.94 Favored Pre-proline 0 CA--C 1.533 0.316 0 N-CA-C 103.441 -2.8 . . . . 0.0 103.441 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.86 151.08 68.38 Favored 'Trans proline' 0 N--CA 1.451 -1.01 0 CA-C-N 120.31 1.147 . . . . 0.0 109.882 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -54.58 -35.63 63.52 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.398 1.079 . . . . 0.0 109.984 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -61.01 -14.47 23.3 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.337 2.255 . . . . 0.0 113.214 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -125.92 -38.57 2.18 Favored 'General case' 0 CA--C 1.522 -0.107 0 C-N-CA 125.387 1.475 . . . . 0.0 110.978 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.34 -34.0 45.41 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.5 1.046 . . . . 0.0 110.971 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -63.49 -32.2 73.58 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 119.232 0.924 . . . . 0.0 109.874 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.72 -53.71 30.62 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 119.88 1.218 . . . . 0.0 110.614 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.411 HD11 HG21 ' A' ' 37' ' ' ILE . 3.8 tt -61.04 -53.16 52.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -60.12 -49.87 75.93 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.61 -0.709 . . . . 0.0 112.019 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -61.91 -37.25 83.93 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 119.682 1.128 . . . . 0.0 110.442 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.72 -50.34 68.77 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 119.96 -1.114 . . . . 0.0 110.991 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.6 tp -70.35 -44.79 77.17 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.42 -34.34 73.81 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.02 -39.65 69.03 Favored 'General case' 0 C--O 1.222 -0.354 0 O-C-N 123.395 0.434 . . . . 0.0 109.925 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -66.66 -51.1 59.98 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.393 1.477 . . . . 0.0 110.533 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -28.35 67.12 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -79.29 -24.34 42.96 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.228 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.09 -27.55 18.5 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -130.31 117.46 19.82 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 . . . . . 0 C--O 1.249 1.064 0 C-N-CA 125.384 1.473 . . . . 0.0 111.176 -179.746 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.999 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -62.59 161.74 27.1 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 123.057 2.505 . . . . 0.0 111.338 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.4 tp -161.43 117.35 2.13 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.43 151.27 5.5 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 p -150.72 171.94 16.37 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 125.179 1.392 . . . . 0.0 107.887 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.04 130.78 31.88 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.0 -68.05 0.46 Allowed 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.8 t -78.97 92.35 4.93 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.5 t -160.62 165.59 30.42 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 126.855 2.062 . . . . 0.0 106.708 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.507 HD11 HD11 ' A' ' 37' ' ' ILE . 17.0 mm -61.54 -18.15 18.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 CA-C-O 117.833 -1.079 . . . . 0.0 111.754 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 m -53.51 -51.68 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 119.205 0.912 . . . . 0.0 109.318 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.6 m -60.86 -42.19 97.39 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.147 1.379 . . . . 0.0 110.116 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -62.02 -45.53 93.19 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.534 -0.729 . . . . 0.0 109.518 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.674 ' HE2' HD13 ' A' ' 58' ' ' ILE . 2.9 m-85 -64.11 -39.9 95.05 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 117.52 -1.229 . . . . 0.0 110.666 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.15 -44.4 87.85 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.5 mtp85 -72.62 -35.22 67.77 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 mt -68.66 -35.37 77.15 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 119.166 -0.445 . . . . 0.0 109.997 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.35 6.38 36.2 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 125.944 1.735 . . . . 0.0 110.348 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 84.4 m -71.47 106.97 4.15 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.3 m -81.0 -100.51 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.627 1.571 . . . . 0.0 111.062 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.9 p -51.63 -26.56 9.19 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.413 1.885 . . . . 0.0 114.585 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 75.9 m -63.73 -32.38 73.85 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 120.833 -1.167 . . . . 0.0 110.683 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.43 -38.27 74.52 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -58.79 -44.67 90.78 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.023 0.929 . . . . 0.0 109.563 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -65.49 -49.7 68.04 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.98 -49.05 72.4 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.283 0.947 . . . . 0.0 112.887 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.9 p -62.24 -47.75 83.01 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.191 0.996 . . . . 0.0 110.159 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 m -65.03 -32.74 74.61 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.377 -0.82 . . . . 0.0 110.252 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -72.85 -26.95 61.65 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.964 1.256 . . . . 0.0 109.788 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.12 36.89 39.17 Favored Glycine 0 C--N 1.338 0.66 0 C-N-CA 124.531 1.063 . . . . 0.0 113.144 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.39 22.37 4.03 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.234 1.414 . . . . 0.0 113.636 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.41 118.07 24.03 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.004 -1.06 . . . . 0.0 108.209 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.479 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -156.93 149.62 23.52 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.096 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -78.51 -55.64 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.829 0.823 . . . . 0.0 111.693 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -59.57 -22.61 61.99 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 126.377 1.871 . . . . 0.0 112.918 -176.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.479 ' HB2' HG23 ' A' ' 33' ' ' THR . 35.3 mm-40 -83.87 -52.97 5.93 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 118.675 -0.679 . . . . 0.0 110.638 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.53 ' CD1' HD11 ' A' ' 58' ' ' ILE . 36.8 pt -62.05 -23.18 30.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 118.728 0.695 . . . . 0.0 110.837 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -64.83 -24.35 67.52 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 118.397 -0.811 . . . . 0.0 109.631 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -114.46 -23.45 9.33 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.582 1.083 . . . . 0.0 112.624 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -71.45 105.54 3.61 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.567 1.547 . . . . 0.0 108.078 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.0 m -67.6 170.53 7.54 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.567 0.698 . . . . 0.0 112.1 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -27.0 21.62 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.597 1.559 . . . . 0.0 112.267 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -64.67 -49.26 71.68 Favored 'General case' 0 N--CA 1.46 0.049 0 C-N-CA 124.859 1.264 . . . . 0.0 108.27 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.22 -45.25 94.17 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 mp -55.67 -47.41 76.76 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.86 -45.62 93.0 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 118.889 -0.577 . . . . 0.0 110.153 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 59.7 p -61.95 -32.53 72.96 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 118.913 0.779 . . . . 0.0 111.805 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.3 mt -75.79 11.78 1.27 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.715 1.606 . . . . 0.0 111.052 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.85 20.24 8.06 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 128.742 2.817 . . . . 0.0 113.351 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.3 mm -77.18 124.51 87.17 Favored Pre-proline 0 CA--C 1.543 0.694 0 CA-C-N 118.668 0.667 . . . . 0.0 109.254 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -66.41 135.35 39.18 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.92 2.413 . . . . 0.0 110.715 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -41.52 -50.49 3.98 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 116.867 2.173 . . . . 0.0 116.867 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -55.31 -42.45 73.72 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.351 1.06 . . . . 0.0 111.4 -177.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -86.18 -44.79 11.91 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.801 -0.618 . . . . 0.0 110.83 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -50.77 -48.15 59.42 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.734 0.814 . . . . 0.0 113.143 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -68.31 -25.32 65.07 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.322 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.39 -47.22 43.79 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 119.875 1.216 . . . . 0.0 110.443 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.674 HD13 ' HE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -62.1 -50.72 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.748 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -54.38 -51.96 63.18 Favored 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 124.298 0.999 . . . . 0.0 109.9 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -57.74 -39.89 78.39 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 118.529 -0.748 . . . . 0.0 109.98 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.91 -50.6 65.71 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 119.382 0.992 . . . . 0.0 113.376 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.5 tp -71.45 -40.88 72.87 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-N 118.06 0.93 . . . . 0.0 111.813 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.08 -32.43 72.97 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -73.29 -41.33 63.71 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -61.32 -56.96 14.54 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -23.77 66.09 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.011 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -67.15 -42.9 83.57 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 120.26 1.391 . . . . 0.0 108.702 177.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.9 mt -76.22 -60.38 2.36 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 123.344 0.658 . . . . 0.0 111.201 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -75.7 177.92 6.48 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.96 1.304 . . . . 0.0 110.12 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 p30 . . . . . 0 C--O 1.247 0.967 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 178.286 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.716 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -69.23 163.35 38.18 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.301 2.001 . . . . 0.0 110.9 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.5 mt -81.04 -32.13 34.22 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 118.826 -0.607 . . . . 0.0 111.277 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.85 -108.86 2.69 Favored Glycine 0 C--N 1.334 0.453 0 N-CA-C 105.54 -3.024 . . . . 0.0 105.54 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m 60.28 -0.49 0.25 Allowed 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.3 p -78.14 -21.86 49.64 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 120.242 1.383 . . . . 0.0 113.53 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -72.95 167.37 21.18 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 122.071 0.938 . . . . 0.0 111.415 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 98.4 m -105.81 77.85 1.29 Allowed 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.522 1.129 . . . . 0.0 108.963 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -141.56 175.64 9.52 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 124.132 0.973 . . . . 0.0 108.634 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mm -54.78 -22.18 9.27 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 CA-C-O 117.47 -1.252 . . . . 0.0 112.609 -178.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.2 m -55.43 -43.97 74.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 120.385 1.448 . . . . 0.0 110.394 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 t -68.36 -43.02 78.35 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 123.35 0.66 . . . . 0.0 109.915 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -66.83 -53.18 35.23 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 123.037 0.211 . . . . 0.0 111.473 -177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.608 ' HE2' HD13 ' A' ' 58' ' ' ILE . 5.6 m-30 -58.87 -40.22 83.7 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.779 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.4 89.33 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -63.23 -36.74 84.67 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 118.692 0.678 . . . . 0.0 110.929 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.2 mt -66.2 -30.78 71.3 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.155 0.888 . . . . 0.0 110.117 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.77 16.12 18.34 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 126.055 1.788 . . . . 0.0 110.241 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 79.8 m -76.0 152.48 36.95 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.258 1.029 . . . . 0.0 110.283 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.7 t -123.25 -93.55 0.51 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.068 0.947 . . . . 0.0 109.148 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -52.36 -25.4 9.66 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.044 1.738 . . . . 0.0 114.102 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.2 m -64.33 -43.06 95.83 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 120.878 -1.139 . . . . 0.0 110.129 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.27 -34.06 74.18 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -59.72 -44.17 93.84 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 124.478 1.111 . . . . 0.0 108.87 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -64.62 -46.96 80.37 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.65 -43.56 89.83 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.3 p -67.37 -44.35 79.19 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 m -60.24 -42.19 94.75 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -71.66 -24.43 61.84 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.06 -1.025 . . . . 0.0 111.167 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.87 35.34 65.6 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 124.416 1.008 . . . . 0.0 112.294 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 pp -127.11 26.52 6.06 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.961 1.304 . . . . 0.0 112.508 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.44 115.94 22.81 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.194 -0.942 . . . . 0.0 108.654 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.77 148.28 20.8 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 122.067 -0.396 . . . . 0.0 112.044 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -79.54 -54.1 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.98 0.912 . . . . 0.0 112.039 178.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -60.71 -17.54 48.88 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 124.845 1.258 . . . . 0.0 113.567 -177.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -80.26 -49.98 10.85 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 58' ' ' ILE . 39.6 pt -63.11 -24.53 36.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 117.591 -1.195 . . . . 0.0 114.062 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -65.01 -19.28 65.92 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 121.04 1.745 . . . . 0.0 109.359 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -114.26 -22.82 9.75 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.258 1.023 . . . . 0.0 111.828 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -76.5 104.29 6.93 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 107.046 -1.465 . . . . 0.0 107.046 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -75.2 166.91 22.9 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 126.609 1.964 . . . . 0.0 110.436 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.09 -26.99 4.99 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.551 1.54 . . . . 0.0 114.92 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -75.34 -47.57 27.09 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 124.189 0.996 . . . . 0.0 110.544 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.56 -48.98 75.22 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 125.665 1.586 . . . . 0.0 108.208 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.5 mt -56.09 -49.68 73.14 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 124.968 1.307 . . . . 0.0 107.892 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.65 -39.24 93.27 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 121.56 -0.713 . . . . 0.0 111.274 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -27.83 69.49 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.353 0.524 . . . . 0.0 110.402 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.0 mt -77.08 15.02 0.76 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.216 1.006 . . . . 0.0 111.168 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.51 40.24 6.3 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 127.697 2.399 . . . . 0.0 111.851 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.3 mm -100.13 101.55 14.82 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 103.818 -2.66 . . . . 0.0 103.818 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -67.89 150.5 78.39 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.301 2.001 . . . . 0.0 111.249 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -48.8 -40.48 29.23 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.016 1.326 . . . . 0.0 114.439 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -55.16 -17.38 4.17 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.808 1.643 . . . . 0.0 113.421 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -124.61 -44.27 1.98 Allowed 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.844 1.658 . . . . 0.0 109.856 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.4 ttp85 -50.18 -43.86 52.61 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 126.349 1.859 . . . . 0.0 112.299 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -62.67 -32.98 74.14 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 119.103 -0.475 . . . . 0.0 111.481 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.8 -46.32 53.81 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.954 0.901 . . . . 0.0 111.564 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.608 HD13 ' HE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -59.69 -51.46 72.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 119.105 0.866 . . . . 0.0 108.986 179.403 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -60.85 -49.29 78.08 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 124.089 0.868 . . . . 0.0 110.803 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -64.05 -36.94 85.65 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 118.402 -0.809 . . . . 0.0 110.963 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.32 -50.36 67.33 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 119.787 1.176 . . . . 0.0 111.2 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.62 -44.8 59.95 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.419 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.89 -32.75 74.08 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.073 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -72.8 -38.06 67.34 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.477 0.581 . . . . 0.0 110.266 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -65.17 -56.61 11.87 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 124.523 1.129 . . . . 0.0 108.378 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -29.96 71.08 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.335 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -73.81 -30.86 62.95 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.286 0.948 . . . . 0.0 111.238 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.5 mt -97.44 -8.37 29.51 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.423 ' CG ' ' H ' ' A' ' 70' ' ' ASP . 24.5 t-80 -127.36 -170.51 2.23 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 126.406 1.882 . . . . 0.0 108.859 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.423 ' H ' ' CG ' ' A' ' 69' ' ' HIS . 17.4 t70 . . . . . 0 C--O 1.25 1.105 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.544 0 CA-C-O 118.499 -1.167 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -71.08 158.71 54.39 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.346 2.031 . . . . 0.0 109.899 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -147.69 136.97 22.4 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.23 -68.13 3.52 Favored Glycine 0 C--N 1.331 0.297 0 N-CA-C 109.059 -1.617 . . . . 0.0 109.059 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.3 16.67 0.12 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.061 1.744 . . . . 0.0 112.253 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.2 p -69.57 -11.78 61.11 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 125.678 1.591 . . . . 0.0 111.033 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -89.59 -44.28 10.19 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 127.524 2.329 . . . . 0.0 112.299 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 99.6 m -116.69 104.23 11.16 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 126.281 1.832 . . . . 0.0 108.732 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m -152.55 160.72 43.2 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.589 1.956 . . . . 0.0 107.415 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.3 mm -48.04 -31.39 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.344 1.458 . . . . 0.0 111.509 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.5 m -48.96 -48.65 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 O-C-N 123.91 0.756 . . . . 0.0 112.044 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 t -67.32 -38.12 84.41 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.474 0.579 . . . . 0.0 110.952 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -64.27 -48.16 76.78 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.36 -0.837 . . . . 0.0 108.758 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -62.0 -41.0 97.58 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.929 1.692 . . . . 0.0 111.285 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.74 -50.36 73.49 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -59.27 -43.09 92.5 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-O 118.4 -0.81 . . . . 0.0 111.392 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.62 -40.24 96.33 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.956 0.798 . . . . 0.0 110.414 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.37 14.86 7.97 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 126.066 1.794 . . . . 0.0 111.577 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.2 m -62.71 165.87 6.06 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.193 1.497 . . . . 0.0 112.261 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.8 t -129.05 -110.21 0.27 Allowed 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.5 m -52.36 -21.94 4.1 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.238 1.415 . . . . 0.0 114.65 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.8 m -61.33 -34.94 76.08 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.044 -1.035 . . . . 0.0 109.688 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.94 -40.69 87.64 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.85 -49.69 75.25 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 126.778 2.031 . . . . 0.0 110.74 -178.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -60.7 -47.97 83.88 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -58.04 -49.95 75.12 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.296 2.9 t -65.04 -45.66 84.5 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.768 1.227 . . . . 0.0 111.518 -177.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.3 m -59.15 -38.84 80.69 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -75.35 -17.47 60.23 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.21 40.96 87.55 Favored Glycine 0 CA--C 1.527 0.807 0 O-C-N 121.149 -0.97 . . . . 0.0 111.518 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pp -129.79 19.07 5.61 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.465 1.106 . . . . 0.0 112.368 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.45 119.09 26.33 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 121.21 -0.931 . . . . 0.0 111.162 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.01 148.06 23.31 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.285 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.4 mm -78.92 -47.86 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 122.43 1.109 . . . . 0.0 109.597 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.07 -26.51 68.87 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.677 1.991 . . . . 0.0 112.816 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -81.24 -42.68 20.35 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 121.865 -0.522 . . . . 0.0 112.162 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.5 pt -60.69 -18.57 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 CA-C-N 118.608 0.64 . . . . 0.0 112.278 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -62.27 -26.36 68.36 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.947 0.794 . . . . 0.0 109.531 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -116.25 -22.16 8.99 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.69 1.196 . . . . 0.0 113.545 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -68.85 110.71 4.5 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.854 1.206 . . . . 0.0 109.193 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 m -77.13 177.87 7.49 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.718 0.77 . . . . 0.0 110.507 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -62.72 -22.87 66.84 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.247 0.619 . . . . 0.0 110.637 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -65.09 -50.22 66.98 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 126.481 1.912 . . . . 0.0 110.335 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.94 -43.36 88.28 Favored 'General case' 0 N--CA 1.461 0.114 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.9 mt -54.55 -51.82 63.99 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.62 -40.87 84.54 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.258 0.623 . . . . 0.0 110.871 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.89 -32.57 73.86 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 122.581 0.352 . . . . 0.0 110.392 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.6 mt -82.57 35.28 0.45 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.874 1.269 . . . . 0.0 111.526 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 tptp 63.78 2.46 1.32 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.111 2.164 . . . . 0.0 116.841 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.9 mm -67.69 122.89 85.37 Favored Pre-proline 0 CA--C 1.539 0.547 0 C-N-CA 124.38 1.072 . . . . 0.0 109.958 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -73.37 141.24 31.54 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.729 2.286 . . . . 0.0 106.26 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -57.35 -29.86 64.35 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 119.455 1.025 . . . . 0.0 113.188 -178.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -55.42 -30.31 60.23 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.778 1.231 . . . . 0.0 111.825 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -109.94 -31.14 7.5 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.211 1.404 . . . . 0.0 109.739 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -54.7 -34.97 63.11 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 120.572 1.533 . . . . 0.0 108.175 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -63.82 -28.55 69.94 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 123.871 0.868 . . . . 0.0 110.895 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.57 -56.73 5.83 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 120.351 1.432 . . . . 0.0 109.517 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.7 tt -60.1 -53.9 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 119.637 -0.22 . . . . 0.0 110.606 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -53.01 63.08 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 123.677 0.61 . . . . 0.0 111.505 -177.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -58.7 -38.46 78.32 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 119.463 1.029 . . . . 0.0 109.712 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.94 -50.27 69.48 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 119.64 1.109 . . . . 0.0 112.06 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -42.6 55.25 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 CA-C-O 118.564 -0.731 . . . . 0.0 112.143 -178.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.53 -33.74 74.33 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.59 -35.13 65.36 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -67.4 -57.12 7.16 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 123.094 0.558 . . . . 0.0 109.57 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -29.17 70.44 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.316 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -73.54 -41.46 62.96 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.897 1.226 . . . . 0.0 110.816 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.2 mt -90.09 -4.11 57.54 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -136.1 19.86 3.21 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.054 1.341 . . . . 0.0 111.537 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.7 t0 . . . . . 0 C--O 1.251 1.139 0 C-N-CA 126.643 1.977 . . . . 0.0 109.527 -179.667 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.772 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -61.72 148.72 92.43 Favored 'Trans proline' 0 C--O 1.238 0.509 0 C-N-CA 122.739 2.293 . . . . 0.0 110.907 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.3 tt -143.83 128.64 18.33 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.2 1.4 . . . . 0.0 109.106 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.59 163.36 18.82 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 125.207 1.384 . . . . 0.0 110.32 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -73.05 105.29 4.44 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.6 p -86.85 -20.92 26.77 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.578 -0.701 . . . . 0.0 110.926 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 38.02 56.55 1.62 Allowed 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 129.489 3.116 . . . . 0.0 112.052 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.6 p -132.82 26.82 4.32 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.432 1.093 . . . . 0.0 112.808 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -154.46 162.15 41.31 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 124.642 1.177 . . . . 0.0 110.002 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.0 mm -58.58 -24.8 26.44 Favored 'Isoleucine or valine' 0 C--N 1.346 0.437 0 CA-C-O 117.337 -1.316 . . . . 0.0 111.592 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -50.45 -41.52 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 120.572 1.533 . . . . 0.0 111.049 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.0 t -73.07 -37.63 66.74 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -63.6 -49.87 71.64 Favored 'General case' 0 C--N 1.339 0.132 0 O-C-N 121.006 -1.059 . . . . 0.0 109.73 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.656 ' HE2' HD13 ' A' ' 58' ' ' ILE . 5.7 m-30 -61.12 -40.44 93.78 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 118.424 -0.798 . . . . 0.0 109.78 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.87 -47.79 84.77 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -64.26 -34.07 77.27 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 124.213 1.005 . . . . 0.0 112.532 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.5 mt -70.71 -50.94 30.94 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 178.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.08 -5.23 8.95 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 127.677 2.56 . . . . 0.0 111.493 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.2 m -60.8 104.4 0.35 Allowed 'General case' 0 C--N 1.342 0.262 0 C-N-CA 125.921 1.688 . . . . 0.0 110.603 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.54 -93.17 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.748 1.219 . . . . 0.0 113.364 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.4 m -56.22 -18.15 9.5 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 114.622 1.342 . . . . 0.0 114.622 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.2 m -62.97 -33.3 75.1 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.714 1.143 . . . . 0.0 109.669 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -38.06 75.97 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -58.67 -47.69 83.64 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 124.259 1.023 . . . . 0.0 109.462 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -61.97 -51.08 69.51 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -58.3 -45.42 88.01 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.6 t -67.19 -34.55 77.74 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.6 m -69.18 -25.21 64.23 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.524 -1.36 . . . . 0.0 110.405 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -87.57 -23.51 24.31 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.5 1.12 . . . . 0.0 111.082 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.5 39.89 86.74 Favored Glycine 0 C--N 1.342 0.915 0 C-N-CA 124.759 1.171 . . . . 0.0 113.633 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.45 29.08 1.79 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.803 1.641 . . . . 0.0 112.27 -178.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 t -88.04 118.17 27.41 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 120.873 -1.142 . . . . 0.0 110.643 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.528 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -158.54 149.8 20.76 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.017 -1.052 . . . . 0.0 111.849 179.643 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -79.08 -48.66 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 124.475 1.11 . . . . 0.0 110.822 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -60.25 -28.62 68.18 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 125.321 1.448 . . . . 0.0 112.062 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.528 ' HB2' HG23 ' A' ' 33' ' ' THR . 36.2 mt-30 -76.37 -49.66 16.24 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.248 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.509 ' CD1' HD11 ' A' ' 58' ' ' ILE . 46.7 pt -63.01 -19.9 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 119.027 0.83 . . . . 0.0 112.65 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.44 -25.83 68.18 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -115.05 -24.15 8.71 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.654 1.182 . . . . 0.0 113.316 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.411 ' HB2' ' HA ' ' A' ' 37' ' ' ILE . 3.4 m-85 -74.73 97.16 3.18 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.2 m -64.36 167.76 6.47 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.144 0.978 . . . . 0.0 111.294 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -53.94 -24.28 15.89 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -74.66 -40.16 61.6 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.659 1.183 . . . . 0.0 109.888 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.69 -42.65 77.52 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 178.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.6 mt -56.05 -51.45 67.77 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.66 -41.29 76.99 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.748 0.704 . . . . 0.0 111.215 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.1 t -58.74 -34.69 71.66 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.938 0.895 . . . . 0.0 111.713 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.5 mt -75.3 27.83 0.1 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.687 1.995 . . . . 0.0 114.509 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.44 33.56 13.59 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.643 1.577 . . . . 0.0 112.469 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 33.3 mm -101.19 133.94 20.65 Favored Pre-proline 0 CA--C 1.538 0.508 0 C-N-CA 125.073 1.349 . . . . 0.0 111.465 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -75.68 157.01 40.11 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.676 2.251 . . . . 0.0 107.966 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.3 -36.94 85.63 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 115.335 1.605 . . . . 0.0 115.335 -177.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -59.93 -53.09 61.98 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.575 1.079 . . . . 0.0 111.29 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -67.69 -42.9 81.34 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.09 -47.41 61.88 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 118.867 0.758 . . . . 0.0 109.302 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -63.26 -32.73 74.21 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 116.814 -1.565 . . . . 0.0 111.041 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.55 -52.57 44.19 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 120.748 1.613 . . . . 0.0 110.713 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.656 HD13 ' HE2' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -64.16 -53.02 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 O-C-N 122.033 -0.417 . . . . 0.0 109.971 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -43.06 85.92 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 123.561 0.538 . . . . 0.0 110.523 -178.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -62.17 -40.67 96.8 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-O 117.96 -1.019 . . . . 0.0 108.882 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.25 -51.32 57.4 Favored Glycine 0 C--O 1.226 -0.398 0 CA-C-N 119.22 0.918 . . . . 0.0 113.115 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.8 tp -66.29 -44.87 90.92 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.505 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.3 -31.34 71.93 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -73.95 -37.51 64.52 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.751 0.421 . . . . 0.0 110.209 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -65.9 -57.41 7.94 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.22 1.408 . . . . 0.0 107.207 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.54 -27.53 69.03 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 118.352 -0.832 . . . . 0.0 111.514 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -75.31 -31.05 60.53 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 120.515 1.507 . . . . 0.0 110.161 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.9 mt -98.1 -14.86 20.23 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -136.12 177.34 7.91 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 127.381 2.273 . . . . 0.0 111.134 -178.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.1 t70 . . . . . 0 C--O 1.249 1.06 0 C-N-CA 126.11 1.764 . . . . 0.0 106.342 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.56 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.81 -31.9 12.26 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 122.195 1.93 . . . . 0.0 111.461 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.1 -57.46 10.53 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.941 0.896 . . . . 0.0 108.999 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.57 -165.25 36.7 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 109.739 -1.344 . . . . 0.0 109.739 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -74.4 -179.38 3.95 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.206 1.402 . . . . 0.0 110.057 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 p -79.0 75.63 5.5 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 122.354 1.074 . . . . 0.0 109.446 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -118.45 166.72 12.34 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 127.563 2.345 . . . . 0.0 107.365 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.0 t -158.81 120.78 3.51 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -149.82 158.81 44.52 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.3 mt -50.29 -29.55 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.94 1.296 . . . . 0.0 111.328 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 m -50.83 -46.13 28.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 118.053 0.388 . . . . 0.0 110.935 178.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.5 t -66.23 -43.37 86.79 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.555 1.142 . . . . 0.0 109.457 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.548 ' CZ ' HD11 ' A' ' 17' ' ' LEU . 11.6 t80 -59.5 -45.86 90.48 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -63.78 -44.81 92.3 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 117.658 -1.163 . . . . 0.0 110.901 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.65 -33.53 70.2 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.457 1.026 . . . . 0.0 110.321 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -71.25 -50.45 32.69 Favored 'General case' 0 C--O 1.232 0.144 0 O-C-N 121.009 -1.057 . . . . 0.0 108.843 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.548 HD11 ' CZ ' ' A' ' 13' ' ' PHE . 60.6 mt -63.04 -34.85 78.45 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.478 0.711 . . . . 0.0 112.647 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.05 19.52 10.07 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 125.817 1.675 . . . . 0.0 109.661 -178.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 t -86.55 138.93 31.32 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 118.613 1.207 . . . . 0.0 109.989 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.83 -65.35 1.13 Allowed 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 125.102 1.361 . . . . 0.0 113.054 -178.046 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.33 -38.64 59.16 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -178.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -33.19 71.48 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 119.15 -1.02 . . . . 0.0 111.282 -178.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.0 -44.28 97.06 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.84 -42.32 97.55 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 123.787 0.679 . . . . 0.0 110.995 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -63.43 -54.45 36.32 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -55.91 -43.88 77.73 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.755 1.222 . . . . 0.0 113.832 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.5 p -68.91 -41.67 77.88 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.738 0.699 . . . . 0.0 110.503 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -33.92 76.93 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.281 0.946 . . . . 0.0 109.703 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -76.11 -18.32 59.21 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.702 0.683 . . . . 0.0 112.823 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.46 36.7 91.9 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 123.603 0.62 . . . . 0.0 112.733 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 pp -134.15 24.97 3.88 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.427 1.091 . . . . 0.0 112.974 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.05 119.07 25.03 Favored 'General case' 0 CA--C 1.519 -0.224 0 O-C-N 120.844 -1.16 . . . . 0.0 109.779 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.84 147.3 21.38 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.2 mm -79.09 -46.93 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 125.058 1.343 . . . . 0.0 109.975 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -58.59 -28.88 65.98 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.575 1.55 . . . . 0.0 110.943 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -82.68 -45.33 14.61 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.365 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.5 pt -60.87 -20.0 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-N 120.344 1.429 . . . . 0.0 111.478 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -60.81 -33.82 73.59 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.076 0.951 . . . . 0.0 108.693 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -113.15 -22.34 10.56 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 117.445 -1.264 . . . . 0.0 113.279 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -62.3 109.58 1.38 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 120.178 1.354 . . . . 0.0 109.516 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 m -74.25 173.31 10.36 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 122.145 0.974 . . . . 0.0 111.902 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.7 mmt -53.92 -36.97 63.32 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.224 1.41 . . . . 0.0 113.338 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.66 -43.04 97.9 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.457 0.703 . . . . 0.0 112.467 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -45.29 70.58 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.4 mt -57.1 -43.54 82.34 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.9 92.93 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.906 -0.496 . . . . 0.0 110.74 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -63.58 -31.38 72.52 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.358 0.663 . . . . 0.0 109.395 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.97 23.09 0.14 Allowed 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.742 -1.223 . . . . 0.0 110.684 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? 68.25 22.67 8.05 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.544 1.938 . . . . 0.0 112.29 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.5 mt -96.52 106.93 32.99 Favored Pre-proline 0 CA--C 1.548 0.896 0 O-C-N 120.5 -1.375 . . . . 0.0 109.446 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.84 147.4 74.81 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.331 2.688 . . . . 0.0 110.153 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -42.34 -45.15 4.17 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.349 1.86 . . . . 0.0 114.3 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -55.18 -35.82 65.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.963 1.305 . . . . 0.0 113.283 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -105.35 -31.27 9.13 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.982 0.513 . . . . 0.0 110.046 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -57.16 -40.13 76.63 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.049 -1.657 . . . . 0.0 108.506 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -66.47 -25.91 66.94 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.379 -0.826 . . . . 0.0 109.17 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.61 -56.45 8.19 Favored 'General case' 0 C--N 1.341 0.207 0 O-C-N 120.37 -1.456 . . . . 0.0 109.329 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.4 tt -56.07 -51.13 65.42 Favored 'Isoleucine or valine' 0 C--N 1.342 0.275 0 CA-C-N 118.824 0.738 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.62 -51.55 68.02 Favored 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 124.007 0.817 . . . . 0.0 110.82 -177.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -43.29 80.78 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 119.857 1.208 . . . . 0.0 109.403 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.37 -50.79 63.27 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-N 118.16 0.436 . . . . 0.0 113.196 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.5 tp -71.98 -37.33 60.49 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 118.935 -0.555 . . . . 0.0 111.845 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.32 -32.63 73.42 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.84 -38.24 70.15 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -63.91 -56.83 12.36 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 124.339 1.055 . . . . 0.0 109.058 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.12 -25.41 67.76 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 117.709 -1.139 . . . . 0.0 110.811 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -81.07 -23.09 38.72 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 120.224 1.374 . . . . 0.0 110.841 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.7 mt -107.38 -4.99 18.0 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -134.84 167.09 21.52 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.401 1.48 . . . . 0.0 107.39 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 C--O 1.25 1.113 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 -179.749 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.877 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.55 -21.05 19.84 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.667 2.245 . . . . 0.0 113.418 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.2 mp 49.62 38.02 14.02 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.428 1.491 . . . . 0.0 110.274 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.16 90.34 1.41 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 126.375 1.941 . . . . 0.0 112.89 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -165.91 159.53 15.91 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 126.772 2.029 . . . . 0.0 106.256 177.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.4 t -127.46 149.54 50.06 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -162.09 169.75 20.38 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 124.555 1.142 . . . . 0.0 108.421 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.6 m -99.27 113.33 25.55 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 105.661 -1.977 . . . . 0.0 105.661 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 m -149.13 178.14 8.99 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 126.065 1.746 . . . . 0.0 106.868 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.4 mm -50.17 -25.89 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 117.94 -1.029 . . . . 0.0 112.033 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.1 m -54.01 -51.57 44.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 119.125 0.875 . . . . 0.0 110.394 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.6 m -63.17 -42.79 99.46 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 124.357 1.063 . . . . 0.0 110.445 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -62.67 -47.03 85.43 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 121.069 0.461 . . . . 0.0 110.06 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -66.83 -36.75 83.07 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.372 1.069 . . . . 0.0 110.446 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.14 -41.96 84.86 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -70.74 -40.23 72.84 Favored 'General case' 0 C--N 1.345 0.409 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.6 mt -69.94 -25.29 63.59 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.548 0.739 . . . . 0.0 112.603 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.61 7.86 57.63 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 126.675 2.083 . . . . 0.0 110.033 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.4 m -70.12 111.08 5.52 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 117.659 0.73 . . . . 0.0 110.559 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.9 m -87.93 -92.09 0.11 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.006 1.722 . . . . 0.0 112.007 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 m -52.45 -29.72 26.06 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 120.386 1.448 . . . . 0.0 113.615 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.5 m -63.47 -33.47 75.65 Favored 'General case' 0 N--CA 1.444 -0.773 0 O-C-N 120.974 -1.079 . . . . 0.0 111.719 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.38 -40.98 77.08 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -57.19 -51.15 70.47 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.708 1.203 . . . . 0.0 108.908 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -55.49 -53.65 53.65 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -56.65 -44.56 81.43 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.3 p -56.96 -50.32 72.98 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 118.604 -0.712 . . . . 0.0 110.149 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.3 m -63.53 -37.89 89.03 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.273 1.029 . . . . 0.0 111.112 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -66.56 -20.68 66.07 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.7 39.68 95.42 Favored Glycine 0 C--N 1.339 0.706 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 pp -138.9 26.88 2.45 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.33 117.95 23.91 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.12 148.85 22.42 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 177.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.2 mm -78.95 -56.01 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 124.017 0.927 . . . . 0.0 112.933 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -65.31 -13.03 57.54 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 124.937 1.295 . . . . 0.0 114.104 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -85.67 -49.52 7.91 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 117.839 -1.077 . . . . 0.0 108.368 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.628 HG21 HD11 ' A' ' 58' ' ' ILE . 23.4 pt -61.73 -22.15 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 119.922 1.237 . . . . 0.0 110.8 178.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.8 -25.45 67.24 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.234 1.414 . . . . 0.0 109.79 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -113.03 -22.3 10.64 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.542 1.537 . . . . 0.0 111.73 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -78.27 94.32 4.78 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 m -67.82 -177.31 0.78 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.482 1.513 . . . . 0.0 110.827 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -46.77 40.11 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.165 1.386 . . . . 0.0 112.998 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -63.88 -35.54 80.99 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 118.899 -0.572 . . . . 0.0 112.48 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.87 -43.86 64.76 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 120.059 1.3 . . . . 0.0 109.723 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.8 mp -62.43 -44.99 95.11 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.49 -44.22 97.48 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.5 t -63.83 -24.7 67.85 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.386 1.074 . . . . 0.0 110.311 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.7 mt -80.99 12.97 2.94 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 119.917 -1.739 . . . . 0.0 109.775 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.18 12.74 8.89 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 128.73 2.812 . . . . 0.0 112.157 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.3 mm -76.35 122.44 86.74 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 123.751 0.82 . . . . 0.0 108.867 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.0 152.28 45.92 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.242 2.628 . . . . 0.0 109.432 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -30.66 68.77 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.208 -0.932 . . . . 0.0 113.033 -179.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -60.4 -13.41 13.2 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.804 1.642 . . . . 0.0 113.346 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -131.45 -39.66 1.14 Allowed 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.699 1.199 . . . . 0.0 110.38 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -33.7 61.06 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 119.844 1.202 . . . . 0.0 109.714 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -62.83 -39.37 94.13 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 119.033 -0.508 . . . . 0.0 111.213 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.76 -51.03 53.81 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 118.948 -0.548 . . . . 0.0 112.424 -177.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.628 HD11 HG21 ' A' ' 37' ' ' ILE . 2.2 tt -57.29 -51.01 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 O-C-N 123.776 0.673 . . . . 0.0 109.687 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -67.38 -53.16 31.75 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -56.21 -41.84 76.26 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 123.412 0.685 . . . . 0.0 109.37 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.97 -48.22 87.38 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 124.088 0.851 . . . . 0.0 112.299 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.3 tp -70.16 -44.36 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.74 0 CA-C-N 118.492 1.146 . . . . 0.0 110.313 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.13 -32.21 72.77 Favored 'General case' 0 C--O 1.219 -0.521 0 O-C-N 124.137 0.898 . . . . 0.0 109.156 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -71.63 -45.6 61.57 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -59.53 -56.44 21.88 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.973 1.709 . . . . 0.0 109.652 -178.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -31.51 72.77 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.084 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -77.26 -12.27 59.93 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 118.974 0.806 . . . . 0.0 110.831 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.9 mt -111.1 -7.79 14.47 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.127 1.371 . . . . 0.0 113.436 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -147.32 113.37 5.82 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.666 1.586 . . . . 0.0 107.098 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.5 t0 . . . . . 0 C--O 1.252 1.194 0 C-N-CA 125.561 1.544 . . . . 0.0 108.97 179.788 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.544 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -73.45 4.93 3.53 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 123.703 2.935 . . . . 0.0 112.319 178.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 23.21 93.78 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.321 1 C-N-CA 132.706 4.402 . . . . 0.0 115.398 178.577 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.88 49.63 73.8 Favored Glycine 0 CA--C 1.523 0.569 0 CA-C-O 119.334 -0.703 . . . . 0.0 114.423 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 p -79.97 -97.3 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.3 m -76.45 118.0 18.68 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 106.881 -1.525 . . . . 0.0 106.881 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -130.58 27.76 4.96 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 127.298 2.239 . . . . 0.0 109.338 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 96.3 m -69.87 56.68 0.14 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.215 2.206 . . . . 0.0 112.577 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.0 t -155.71 147.9 23.57 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.4 mt -52.81 -20.59 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 126.235 1.814 . . . . 0.0 112.063 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.5 m -50.07 -47.41 24.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 118.614 0.643 . . . . 0.0 111.555 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 t -71.81 -37.51 70.35 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -63.94 -49.59 71.98 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 121.359 0.599 . . . . 0.0 109.579 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -62.19 -40.73 97.04 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.403 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.82 -35.58 76.89 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 124.021 0.826 . . . . 0.0 109.555 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -76.8 -34.05 57.97 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.005 -1.06 . . . . 0.0 111.769 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.9 mt -71.05 -51.77 23.38 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.75 0.23 2.05 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.098 1.333 . . . . 0.0 112.258 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 159.88 23.71 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 119.638 1.719 . . . . 0.0 111.918 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.5 p -140.82 -87.11 0.18 Allowed 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.94 0.896 . . . . 0.0 109.505 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -54.14 -31.25 51.88 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.314 0.961 . . . . 0.0 112.483 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.5 m -69.01 -27.91 66.11 Favored 'General case' 0 C--N 1.341 0.221 0 O-C-N 120.928 -1.107 . . . . 0.0 111.796 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.06 -41.68 70.4 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 178.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -60.1 -34.72 73.88 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.082 1.353 . . . . 0.0 110.445 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -69.43 -53.93 16.89 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.49 -42.78 71.14 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 125.234 1.414 . . . . 0.0 113.522 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.7 p -67.48 -52.53 38.13 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.338 1.055 . . . . 0.0 109.592 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.8 m -63.99 -25.24 68.04 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 118.994 -0.527 . . . . 0.0 112.226 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -81.03 -7.06 59.48 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.059 0.944 . . . . 0.0 111.233 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 57.38 33.53 66.14 Favored Glycine 0 C--N 1.336 0.549 0 C-N-CA 126.612 2.053 . . . . 0.0 112.969 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 pp -128.26 20.63 6.27 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.678 1.191 . . . . 0.0 113.479 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -87.21 116.64 25.43 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 121.473 -0.767 . . . . 0.0 110.815 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -156.32 148.02 22.82 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.1 mm -79.3 -53.06 14.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 123.001 1.381 . . . . 0.0 110.783 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -57.21 -30.23 64.39 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 127.315 2.246 . . . . 0.0 111.809 -177.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -80.18 -47.96 13.89 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 117.948 -1.025 . . . . 0.0 109.688 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.8 pt -60.58 -31.3 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 120.426 1.466 . . . . 0.0 110.441 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -57.54 -39.76 77.32 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -94.25 -23.18 17.97 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -76.78 107.41 9.08 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.306 0.957 . . . . 0.0 109.004 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -69.57 172.76 6.87 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.079 0.466 . . . . 0.0 110.305 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.5 mtp -52.28 -37.04 54.42 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -67.44 -34.64 77.61 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.2 -36.37 82.9 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.0 mt -64.34 -41.2 96.9 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.68 92.66 Favored 'General case' 0 C--N 1.34 0.174 0 O-C-N 121.741 -0.599 . . . . 0.0 109.539 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 t -59.7 -39.98 86.39 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.9 mt -69.94 13.4 0.15 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.315 0.646 . . . . 0.0 111.757 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm 69.73 9.57 7.23 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 129.519 3.128 . . . . 0.0 113.53 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.6 mm -65.07 124.48 86.89 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 123.95 0.9 . . . . 0.0 110.665 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.85 135.79 36.49 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.853 2.369 . . . . 0.0 108.711 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.21 -29.84 15.42 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -178.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -52.42 63.61 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.391 0.996 . . . . 0.0 109.919 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -84.62 -43.49 14.38 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.222 1.009 . . . . 0.0 110.78 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -40.49 68.77 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 119.962 1.255 . . . . 0.0 111.326 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -68.26 -26.2 65.56 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.798 -0.564 . . . . 0.0 109.941 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.56 -49.83 24.38 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 120.385 -1.447 . . . . 0.0 110.646 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.68 -51.17 76.22 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -56.16 -52.65 63.6 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 124.559 1.162 . . . . 0.0 110.05 -178.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -54.08 -42.85 69.8 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.861 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.19 -50.79 61.75 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 118.6 0.636 . . . . 0.0 114.293 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.0 tp -71.09 -40.27 75.26 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.569 0 O-C-N 121.196 -1.179 . . . . 0.0 111.84 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.39 -33.8 74.28 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.45 -32.11 64.17 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.395 1.878 . . . . 0.0 111.43 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -66.51 -54.16 26.93 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.471 ' HG2' ' N ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -70.8 -35.48 72.57 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 118.861 -1.136 . . . . 0.0 110.292 179.763 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.471 ' N ' ' HG2' ' A' ' 66' ' ' ARG . 22.9 tt0 -56.72 -34.23 67.29 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.664 0.603 . . . . 0.0 110.53 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.3 mt -96.93 -19.68 18.64 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 116.794 -1.574 . . . . 0.0 113.636 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -131.58 104.34 6.89 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 120.87 1.668 . . . . 0.0 109.443 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.3 t0 . . . . . 0 C--O 1.251 1.139 0 C-N-CA 127.683 2.393 . . . . 0.0 107.028 179.562 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.543 0 N-CA-C 108.526 -1.83 . . . . 0.0 108.526 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -72.16 -28.58 15.48 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.985 2.457 . . . . 0.0 116.083 -178.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 42.54 32.82 0.39 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.995 1.718 . . . . 0.0 113.952 -178.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.23 -171.41 19.22 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 126.381 1.943 . . . . 0.0 109.776 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -134.71 151.64 51.15 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.598 1.159 . . . . 0.0 110.374 -178.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -148.37 71.8 1.18 Allowed 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.98 -36.42 62.9 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.958 1.303 . . . . 0.0 112.14 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.4 m -145.51 108.27 4.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.261 1.424 . . . . 0.0 107.416 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.9 t -159.54 173.76 15.66 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 126.496 1.918 . . . . 0.0 106.191 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.495 HD11 ' CD1' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -51.8 -28.19 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 117.388 -1.291 . . . . 0.0 112.721 -179.166 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 m -51.43 -46.75 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 119.259 0.936 . . . . 0.0 110.93 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 t -62.66 -45.47 92.64 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 123.635 0.774 . . . . 0.0 109.292 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.445 ' HB3' HD13 ' A' ' 10' ' ' ILE . 49.1 t80 -66.4 -43.66 85.21 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.735 -178.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.494 ' CE2' HD12 ' A' ' 10' ' ' ILE . 3.8 m-30 -63.55 -39.95 95.74 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 120.937 -1.102 . . . . 0.0 111.37 -179.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.29 98.56 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -65.19 -38.11 89.45 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-O 118.818 -0.611 . . . . 0.0 111.104 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.2 mt -65.83 -34.16 77.52 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.779 0.718 . . . . 0.0 109.603 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.81 18.03 33.59 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 125.635 1.588 . . . . 0.0 109.173 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . 0.261 31.4 p -75.72 160.66 29.81 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 118.957 1.378 . . . . 0.0 110.845 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -124.57 -87.69 0.61 Allowed 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.907 -178.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.5 p -52.38 -28.62 20.38 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 120.397 1.453 . . . . 0.0 113.22 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.9 m -64.28 -41.42 96.9 Favored 'General case' 0 N--CA 1.442 -0.861 0 O-C-N 121.57 -0.706 . . . . 0.0 110.614 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.06 -37.53 81.4 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 117.082 -1.437 . . . . 0.0 108.671 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -61.73 -51.06 69.91 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 125.411 1.484 . . . . 0.0 110.194 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -59.36 -47.52 85.1 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -55.94 -52.82 62.79 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.8 t -64.47 -39.25 93.45 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 118.794 0.725 . . . . 0.0 110.988 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.6 m -64.11 -29.48 70.6 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 118.78 0.718 . . . . 0.0 109.931 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -84.62 -26.43 27.88 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.88 -1.137 . . . . 0.0 111.449 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.9 38.98 75.6 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 124.73 1.157 . . . . 0.0 112.72 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.25 26.3 5.44 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.64 1.576 . . . . 0.0 111.749 -179.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.8 119.03 24.84 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.52 147.53 22.05 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 177.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.3 mm -79.27 -52.54 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-O 122.782 1.277 . . . . 0.0 109.897 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -56.21 -30.55 62.46 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 126.536 1.934 . . . . 0.0 112.451 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -74.05 -50.29 20.37 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 117.798 -1.096 . . . . 0.0 110.853 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.495 ' CD1' HD11 ' A' ' 10' ' ' ILE . 39.8 pt -62.47 -19.62 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 119.921 1.237 . . . . 0.0 112.943 -179.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.96 -23.04 65.01 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -114.31 -23.56 9.35 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.839 1.255 . . . . 0.0 112.159 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -81.51 90.75 6.26 Favored 'General case' 0 C--N 1.34 0.176 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 178.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.0 m -70.58 176.79 3.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.631 0.772 . . . . 0.0 110.283 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.3 ptp -48.84 -27.19 2.85 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -69.66 -50.51 43.35 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 119.501 1.046 . . . . 0.0 111.159 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.56 -41.76 92.57 Favored 'General case' 0 CA--C 1.517 -0.292 0 O-C-N 121.499 -0.751 . . . . 0.0 109.367 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.19 -38.72 84.11 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.18 -50.73 71.95 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 t -59.01 -24.8 63.11 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 124.583 1.153 . . . . 0.0 112.233 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.2 mt -81.65 20.08 0.97 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.303 1.041 . . . . 0.0 111.401 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.44 23.94 14.13 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 127.669 2.388 . . . . 0.0 112.337 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.4 mm -84.7 115.58 61.36 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.42 149.06 62.1 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.984 1.789 . . . . 0.0 109.224 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -56.38 -30.65 62.97 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -55.48 -20.37 12.54 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 128.196 2.598 . . . . 0.0 112.214 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -126.0 -44.26 1.78 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.609 1.563 . . . . 0.0 108.711 178.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -47.3 -51.67 18.51 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.413 1.485 . . . . 0.0 112.79 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.94 -32.67 73.11 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.764 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.89 -52.36 44.23 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 119.809 1.186 . . . . 0.0 111.654 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -53.48 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.72 -45.72 81.71 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.051 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -58.82 -40.39 84.01 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.36 -50.9 62.15 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 124.267 0.936 . . . . 0.0 113.001 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.4 tt -73.69 -42.96 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.719 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.307 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.22 -32.51 68.37 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -73.72 -38.41 64.81 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.28 1.432 . . . . 0.0 111.026 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -67.84 -56.87 7.49 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -33.22 74.09 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 118.111 -0.947 . . . . 0.0 109.739 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -69.79 -34.1 73.27 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.993 1.27 . . . . 0.0 110.419 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.2 mt -92.46 -5.7 51.38 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.412 0.685 . . . . 0.0 112.753 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -134.51 -135.46 0.16 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.456 1.503 . . . . 0.0 108.124 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.871 0 C-N-CA 129.926 3.29 . . . . 0.0 105.969 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.511 0 N-CA-C 108.735 -1.746 . . . . 0.0 108.735 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.87 121.7 9.49 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 122.513 2.142 . . . . 0.0 109.383 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -163.71 153.86 15.29 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 126.726 2.01 . . . . 0.0 107.773 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.52 176.49 42.27 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 108.044 -2.023 . . . . 0.0 108.044 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 t -144.05 -177.22 5.34 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.304 1.042 . . . . 0.0 109.757 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.3 t -162.01 153.9 18.99 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 126.866 2.066 . . . . 0.0 106.798 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -62.5 -58.11 8.78 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.007 1.323 . . . . 0.0 108.746 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.3 t -138.07 154.55 49.25 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.254 1.822 . . . . 0.0 109.883 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.7 t 176.08 160.13 0.3 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 128.234 2.614 . . . . 0.0 106.035 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.9 mt -60.33 -21.48 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 124.915 1.286 . . . . 0.0 109.569 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.3 m -49.52 -48.33 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 119.318 0.963 . . . . 0.0 112.172 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.2 t -67.14 -38.59 85.77 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -62.34 -43.8 97.99 Favored 'General case' 0 C--N 1.342 0.257 0 O-C-N 121.546 -0.721 . . . . 0.0 109.246 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.487 ' CZ ' HD12 ' A' ' 58' ' ' ILE . 4.8 m-30 -62.86 -36.0 81.84 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 117.521 -1.228 . . . . 0.0 109.874 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.68 91.1 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -74.68 -36.23 62.79 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.811 -0.556 . . . . 0.0 111.549 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.4 mt -70.54 -41.47 72.46 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 121.717 -0.614 . . . . 0.0 111.14 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.2 5.62 21.22 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.982 1.753 . . . . 0.0 110.845 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.9 m -66.52 140.95 58.02 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.157 1.479 . . . . 0.0 108.283 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.4 p -118.9 -83.06 0.65 Allowed 'General case' 0 C--O 1.232 0.159 0 C-N-CA 123.551 0.74 . . . . 0.0 111.611 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.88 -27.78 60.97 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.105 1.362 . . . . 0.0 112.855 -179.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.1 m -71.58 -28.19 63.66 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 118.264 -0.874 . . . . 0.0 112.429 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.6 -41.5 79.48 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -59.64 -44.58 93.45 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.093 1.757 . . . . 0.0 108.962 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -59.53 -51.38 70.08 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -58.39 -50.24 74.39 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.766 1.226 . . . . 0.0 113.5 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.0 p -60.89 -39.71 90.31 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 118.903 0.774 . . . . 0.0 109.578 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.8 m -65.6 -36.79 84.76 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.926 -0.484 . . . . 0.0 109.828 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -75.39 -18.57 59.9 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.02 0.827 . . . . 0.0 112.761 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.43 37.8 86.17 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 123.944 0.783 . . . . 0.0 112.995 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.57 20.72 3.34 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -178.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.5 119.39 25.8 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 119.716 1.144 . . . . 0.0 109.349 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.94 147.06 22.37 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 mt -79.33 -54.37 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 123.512 1.625 . . . . 0.0 111.83 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -59.96 -16.77 32.88 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 127.513 2.325 . . . . 0.0 113.681 -177.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -90.39 -50.33 6.02 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 118.195 -0.907 . . . . 0.0 109.574 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.2 pt -60.72 -26.48 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 119.062 0.846 . . . . 0.0 111.631 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -57.49 -28.13 63.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.624 0.77 . . . . 0.0 110.41 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -114.7 -22.12 9.87 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.282 1.033 . . . . 0.0 112.945 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -73.9 105.83 5.34 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 120.05 1.295 . . . . 0.0 108.705 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 m -71.29 176.5 4.52 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.001 1.72 . . . . 0.0 113.048 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.2 mmt -55.67 -33.41 64.08 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.256 -0.902 . . . . 0.0 112.431 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -46.75 88.51 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 124.218 1.007 . . . . 0.0 109.791 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.51 -41.51 96.36 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 mt -61.97 -44.32 97.0 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.59 96.0 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.1 t -64.44 -38.24 90.34 Favored 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 122.309 -0.244 . . . . 0.0 110.517 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 mt -74.9 20.98 0.12 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.949 1.7 . . . . 0.0 111.931 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.1 tptm 66.15 9.68 6.48 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 126.727 2.011 . . . . 0.0 113.547 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.6 mm -75.5 120.25 80.81 Favored Pre-proline 0 CA--C 1.544 0.745 0 CA-C-N 119.644 1.111 . . . . 0.0 109.726 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -70.57 144.11 48.83 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.763 2.308 . . . . 0.0 109.724 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -51.12 -39.03 55.3 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.975 0.91 . . . . 0.0 113.353 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -55.09 -25.94 34.7 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.826 2.051 . . . . 0.0 113.205 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -119.46 -40.34 2.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.9 0.88 . . . . 0.0 110.69 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -52.86 -38.45 61.53 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 119.736 1.153 . . . . 0.0 110.338 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -62.87 -32.5 73.76 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 118.608 -0.711 . . . . 0.0 110.526 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.33 -51.0 33.38 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 120.013 1.279 . . . . 0.0 110.915 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.487 HD12 ' CZ ' ' A' ' 14' ' ' PHE . 1.9 tt -61.39 -52.9 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -58.17 -55.32 36.52 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 124.067 0.854 . . . . 0.0 112.283 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -55.81 -39.02 70.74 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.276 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.75 -50.88 62.91 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 124.069 0.842 . . . . 0.0 112.754 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.456 ' O ' ' HD2' ' A' ' 66' ' ' ARG . 10.9 tp -68.29 -43.09 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-N 118.127 0.964 . . . . 0.0 110.492 -178.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -59.59 -34.07 72.27 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.394 0.616 . . . . 0.0 109.556 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -73.64 -31.33 63.45 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 126.096 1.758 . . . . 0.0 111.03 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -67.71 -54.54 18.55 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.456 ' HD2' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -69.25 -31.22 69.62 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 116.85 -1.94 . . . . 0.0 110.764 178.766 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -54.4 -47.69 72.46 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 mp -76.37 -55.17 5.8 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 118.355 -0.831 . . . . 0.0 111.497 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . 0.261 68.2 t60 47.65 27.98 1.15 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 128.405 2.682 . . . . 0.0 111.965 -177.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 128.89 2.876 . . . . 0.0 108.291 178.504 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.838 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -74.88 -172.73 1.32 Allowed 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 124.759 3.639 . . . . 0.0 110.18 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -62.44 154.55 28.03 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.35 150.55 13.56 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 -178.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 m -121.85 107.2 12.02 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 121.484 -1.01 . . . . 0.0 111.04 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.6 p -135.27 154.07 51.68 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 126.657 1.983 . . . . 0.0 106.165 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -161.86 149.44 14.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.6 m -134.02 81.57 1.93 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.017 0.527 . . . . 0.0 110.079 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.7 m -123.69 167.02 14.54 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 127.172 2.189 . . . . 0.0 107.373 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.506 HD11 HD13 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -52.27 -31.44 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 119.421 1.01 . . . . 0.0 112.731 -179.293 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 m -52.46 -49.25 44.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 124.095 0.872 . . . . 0.0 110.634 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.6 m -64.73 -41.74 95.72 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.354 0.662 . . . . 0.0 110.14 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -64.37 -43.99 92.76 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.585 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.432 ' CE2' HD12 ' A' ' 10' ' ' ILE . 3.5 m-30 -63.79 -37.18 86.4 Favored 'General case' 0 C--O 1.238 0.488 0 O-C-N 120.748 -1.22 . . . . 0.0 111.066 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.62 90.76 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -61.48 -40.07 93.22 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.639 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.68 -42.56 99.69 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.692 1.133 . . . . 0.0 109.898 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.88 21.81 10.76 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 125.992 1.758 . . . . 0.0 110.073 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 p -77.25 172.22 13.61 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.021 1.41 . . . . 0.0 111.606 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.9 p -135.12 -87.05 0.37 Allowed 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 124.02 0.928 . . . . 0.0 109.199 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 p -52.97 -29.09 26.91 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.132 1.373 . . . . 0.0 112.381 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.0 m -67.44 -38.38 84.42 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 121.343 -0.848 . . . . 0.0 110.673 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.46 -38.01 77.56 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 117.682 -1.151 . . . . 0.0 108.715 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.5 -50.67 73.01 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 126.659 1.984 . . . . 0.0 109.239 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -63.85 -47.09 82.12 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 118.525 -0.75 . . . . 0.0 109.528 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -54.81 -49.83 70.04 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.659 1.118 . . . . 0.0 111.586 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.0 t -62.25 -38.35 88.92 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.503 1.047 . . . . 0.0 110.003 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.5 m -65.06 -26.4 68.23 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.941 0.897 . . . . 0.0 110.331 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -89.87 -26.69 20.36 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.898 -1.126 . . . . 0.0 110.253 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.04 37.93 83.43 Favored Glycine 0 C--N 1.339 0.697 0 CA-C-N 118.987 0.812 . . . . 0.0 111.762 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 pp -132.16 25.42 4.55 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.628 1.171 . . . . 0.0 112.181 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.95 117.89 24.21 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 -178.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.404 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -157.62 148.59 21.31 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 121.717 -0.614 . . . . 0.0 109.467 178.015 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.9 mm -77.86 -54.72 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 121.81 0.814 . . . . 0.0 110.96 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -59.62 -12.8 7.4 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 128.077 2.551 . . . . 0.0 113.719 -177.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.404 ' HB2' HG23 ' A' ' 33' ' ' THR . 86.8 mm-40 -97.33 -42.69 7.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 118.096 -0.954 . . . . 0.0 112.244 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.506 HD13 HD11 ' A' ' 10' ' ' ILE . 27.4 pt -63.87 -14.92 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 120.29 1.404 . . . . 0.0 112.57 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -76.24 -25.73 55.31 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.445 0.566 . . . . 0.0 109.673 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -107.28 -22.51 12.57 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 124.167 0.987 . . . . 0.0 111.593 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -80.97 101.26 9.39 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 102.341 -3.207 . . . . 0.0 102.341 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 m -69.79 176.21 3.78 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.388 0.613 . . . . 0.0 112.054 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.7 mtt -52.01 -36.83 51.29 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -70.13 -32.31 70.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.296 0.953 . . . . 0.0 111.249 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.52 -42.48 78.45 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 178.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.33 -31.49 72.12 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.58 -47.88 81.87 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.2 m -59.44 -28.69 67.19 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.405 1.082 . . . . 0.0 111.717 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.9 mt -78.59 12.85 1.84 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.148 0.979 . . . . 0.0 111.473 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.1 48.7 10.26 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 125.953 1.701 . . . . 0.0 110.768 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.0 mm -107.67 118.28 53.56 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -67.64 142.33 58.12 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.307 2.004 . . . . 0.0 108.095 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -48.3 -39.31 21.32 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.179 1.392 . . . . 0.0 114.634 -178.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -54.98 -52.8 61.97 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 125.091 1.356 . . . . 0.0 111.27 -177.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -82.71 -40.1 21.06 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 118.582 -0.723 . . . . 0.0 109.727 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -48.84 -48.36 41.83 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 124.534 1.134 . . . . 0.0 110.404 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -62.91 -25.3 68.26 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 118.701 -0.666 . . . . 0.0 111.157 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.11 -56.45 5.09 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 120.73 1.604 . . . . 0.0 109.717 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.409 HD12 ' CZ ' ' A' ' 14' ' ' PHE . 1.2 tt -56.83 -54.32 31.09 Favored 'Isoleucine or valine' 0 C--N 1.338 0.1 0 C-N-CA 124.119 0.967 . . . . 0.0 109.862 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -51.28 70.12 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 123.689 0.618 . . . . 0.0 110.822 -177.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -41.21 79.06 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.784 178.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.11 -50.75 64.51 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 124.344 0.974 . . . . 0.0 113.422 -178.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 5.9 tp -73.82 -38.99 51.71 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 CA-C-N 118.471 1.135 . . . . 0.0 112.187 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.95 -32.98 74.7 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -72.72 -39.37 67.0 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.455 1.102 . . . . 0.0 110.631 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -62.13 -55.43 28.92 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.123 1.369 . . . . 0.0 107.852 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -30.79 71.37 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.67 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -71.6 -20.91 61.92 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 117.975 -1.012 . . . . 0.0 113.274 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.0 mt -108.72 -34.11 6.79 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 47.8 t60 38.02 39.66 0.26 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 129.758 3.223 . . . . 0.0 114.062 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 C--O 1.249 1.052 0 C-N-CA 124.535 1.134 . . . . 0.0 107.942 179.13 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.616 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.87 -20.66 34.01 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 123.181 2.587 . . . . 0.0 113.089 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -79.84 176.56 9.62 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.603 1.561 . . . . 0.0 111.179 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.61 175.39 54.88 Favored Glycine 0 CA--C 1.523 0.583 0 CA-C-O 122.141 0.856 . . . . 0.0 112.112 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -147.18 72.68 1.27 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.1 m -140.75 77.59 1.61 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 104.654 -2.35 . . . . 0.0 104.654 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -94.57 -29.18 15.02 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 124.838 1.255 . . . . 0.0 108.237 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.29 144.95 42.92 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 127.791 2.436 . . . . 0.0 105.049 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.7 t -179.33 155.85 0.72 Allowed 'General case' 0 C--O 1.24 0.571 0 C-N-CA 128.054 2.541 . . . . 0.0 104.144 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.8 mt -55.59 -23.82 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-O 118.508 -0.758 . . . . 0.0 111.524 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.1 m -49.85 -48.19 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 119.201 0.91 . . . . 0.0 111.042 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.2 m -65.49 -44.28 87.57 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 124.488 1.115 . . . . 0.0 110.793 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -62.22 -47.72 83.17 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.387 0.613 . . . . 0.0 109.443 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.506 ' HE2' HD13 ' A' ' 58' ' ' ILE . 3.7 m-30 -60.53 -44.9 95.56 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 125.489 1.516 . . . . 0.0 111.076 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.61 -43.61 80.34 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.8 mtp-105 -65.35 -44.9 86.24 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-O 118.444 -0.788 . . . . 0.0 110.431 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.2 mt -62.71 -26.35 68.63 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.982 0.81 . . . . 0.0 110.973 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.36 5.98 45.27 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 125.762 1.649 . . . . 0.0 110.276 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.3 m -68.02 148.26 51.27 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.733 -0.863 . . . . 0.0 109.462 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.5 m -129.87 -87.34 0.52 Allowed 'General case' 0 C--O 1.226 -0.178 0 CA-C-O 117.087 -1.435 . . . . 0.0 110.06 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.9 m -53.23 -28.18 25.94 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 121.276 1.853 . . . . 0.0 114.421 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.6 t -65.55 -33.95 77.11 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.0 0.818 . . . . 0.0 110.147 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -40.58 87.77 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 117.086 -1.435 . . . . 0.0 107.498 179.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -62.79 -40.91 98.79 Favored 'General case' 0 C--O 1.232 0.176 0 O-C-N 124.778 1.299 . . . . 0.0 111.721 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -64.54 -48.68 74.18 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -58.03 -44.56 87.42 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.0 p -66.76 -44.67 80.78 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 123.725 0.81 . . . . 0.0 110.734 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.11 -32.78 74.43 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 118.807 0.73 . . . . 0.0 110.455 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -74.42 -16.77 60.86 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 122.031 -0.418 . . . . 0.0 110.328 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 59.38 39.99 95.49 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 127.666 2.555 . . . . 0.0 113.153 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.8 22.25 5.0 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 124.729 1.212 . . . . 0.0 113.288 -178.494 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 t -85.81 118.55 25.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.363 0.601 . . . . 0.0 109.401 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.98 146.94 22.21 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.1 mm -79.8 -47.46 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-O 122.429 1.109 . . . . 0.0 110.106 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -57.88 -16.24 11.24 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 129.312 3.045 . . . . 0.0 111.815 -177.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -97.67 -46.36 6.03 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.686 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.5 pt -60.92 -21.55 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 120.429 1.468 . . . . 0.0 112.84 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.58 -27.82 65.44 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.944 1.247 . . . . 0.0 110.129 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -109.0 -23.27 11.77 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 117.949 -1.024 . . . . 0.0 113.674 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -66.26 125.45 25.61 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 119.77 1.168 . . . . 0.0 108.969 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.9 m -93.97 177.05 6.11 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.485 0.66 . . . . 0.0 109.867 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -49.29 -28.02 4.39 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 116.128 1.899 . . . . 0.0 116.128 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.1 -50.28 64.61 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 119.062 0.846 . . . . 0.0 111.086 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.24 -39.97 94.61 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.584 -179.097 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.0 mt -59.99 -51.18 70.77 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.13 87.28 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.1 t -56.43 -39.27 72.82 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.331 1.452 . . . . 0.0 111.107 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.5 mt -83.79 22.81 1.07 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.968 1.707 . . . . 0.0 113.132 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? 66.93 27.65 8.85 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.998 1.719 . . . . 0.0 113.472 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.4 mm -104.66 91.07 3.84 Favored Pre-proline 0 CA--C 1.545 0.755 0 N-CA-C 105.176 -2.157 . . . . 0.0 105.176 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -76.06 163.07 33.6 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.553 2.168 . . . . 0.0 111.892 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -50.42 -26.76 5.37 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.274 1.43 . . . . 0.0 113.985 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -54.77 -30.94 58.01 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.848 1.659 . . . . 0.0 110.496 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -128.42 -36.28 1.9 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.076 1.351 . . . . 0.0 112.172 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.29 -38.88 28.83 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 126.947 2.099 . . . . 0.0 114.556 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -68.8 -31.04 69.75 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 117.869 -1.063 . . . . 0.0 109.976 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.4 -49.61 32.53 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.625 0.77 . . . . 0.0 111.099 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.506 HD13 ' HE2' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -59.94 -52.45 60.97 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -59.76 -47.28 86.32 Favored 'General case' 0 N--CA 1.441 -0.91 0 O-C-N 123.858 0.723 . . . . 0.0 111.022 -177.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -59.94 -39.74 86.57 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 117.424 -1.274 . . . . 0.0 109.754 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.83 -51.98 51.67 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 119.033 0.833 . . . . 0.0 114.428 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.7 tp -69.63 -37.67 74.77 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 O-C-N 121.499 -1.001 . . . . 0.0 111.886 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.432 ' CD1' ' HE ' ' A' ' 66' ' ' ARG . 3.8 mm? -65.42 -31.72 72.96 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 178.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -39.52 75.13 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 118.315 0.507 . . . . 0.0 111.439 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -61.18 -53.17 60.31 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.432 ' HE ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -70.0 -23.14 63.1 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 119.122 -1.031 . . . . 0.0 111.174 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -79.86 -18.14 51.46 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.116 0.871 . . . . 0.0 110.1 179.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.1 mt -117.9 -0.05 11.8 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.646 1.178 . . . . 0.0 113.722 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -137.17 -179.2 5.57 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 120.111 1.323 . . . . 0.0 111.368 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 130.281 3.433 . . . . 0.0 105.48 178.941 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.623 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.11 100.7 0.65 Allowed 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.552 2.168 . . . . 0.0 109.737 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.86 -27.86 69.09 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.474 0.71 . . . . 0.0 110.038 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.56 88.87 0.17 Allowed Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.925 1.25 . . . . 0.0 110.104 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 t -80.23 20.4 0.67 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.269 1.428 . . . . 0.0 110.383 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.01 158.62 43.77 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 129.63 3.172 . . . . 0.0 105.704 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -99.41 -94.65 0.25 Allowed 'General case' 0 C--O 1.239 0.54 0 N-CA-C 104.991 -2.226 . . . . 0.0 104.991 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 55.8 m -146.46 -175.79 4.92 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.983 1.713 . . . . 0.0 109.489 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -158.98 153.04 23.54 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 127.226 2.21 . . . . 0.0 105.044 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.512 HD13 ' HB3' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -58.68 -18.76 13.23 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.111 0 C-N-CA 124.258 1.023 . . . . 0.0 110.768 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.2 m -51.53 -49.0 34.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 119.254 0.933 . . . . 0.0 110.849 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.4 m -63.74 -41.47 98.02 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.823 1.249 . . . . 0.0 110.595 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.512 ' HB3' HD13 ' A' ' 10' ' ' ILE . 56.5 t80 -65.41 -49.55 68.8 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.988 -178.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.454 ' CE2' HD12 ' A' ' 10' ' ' ILE . 8.1 m-30 -59.67 -39.82 85.75 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.008 0.923 . . . . 0.0 110.546 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.92 -44.78 87.07 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -66.31 -43.03 87.38 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.913 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.9 mt -62.19 -26.58 68.43 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 118.714 0.688 . . . . 0.0 110.904 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.94 7.97 60.81 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 125.345 1.45 . . . . 0.0 110.287 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.7 p -84.44 132.25 34.58 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-O 118.969 -0.539 . . . . 0.0 109.885 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.553 ' HA ' HD23 ' A' ' 23' ' ' LEU . 17.2 m -122.14 -48.59 2.1 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 117.418 -1.277 . . . . 0.0 113.225 -179.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -57.37 -36.78 71.67 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 120.862 1.665 . . . . 0.0 110.354 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.7 m -69.98 -34.57 73.52 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.708 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' A' ' 20' ' ' SER . 0.3 OUTLIER -66.74 -40.45 88.35 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.53 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -59.47 -51.06 71.49 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 124.511 1.124 . . . . 0.0 109.083 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -62.93 -49.42 74.83 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -59.46 -45.16 92.4 Favored 'General case' 0 C--O 1.236 0.375 0 O-C-N 120.93 -1.107 . . . . 0.0 113.068 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.1 p -64.21 -45.27 89.0 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.2 m -62.31 -41.78 98.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 118.259 -0.876 . . . . 0.0 109.775 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -66.72 -27.59 67.75 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 120.349 1.431 . . . . 0.0 109.326 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.16 31.49 54.98 Favored Glycine 0 C--N 1.34 0.773 0 C-N-CA 124.319 0.961 . . . . 0.0 112.889 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.82 27.5 6.01 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.842 1.257 . . . . 0.0 113.243 -177.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.81 118.29 26.11 Favored 'General case' 0 C--O 1.236 0.389 0 O-C-N 121.13 -0.981 . . . . 0.0 109.612 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.446 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -156.36 149.02 23.76 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.05 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mt -80.41 -53.56 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-O 122.478 1.132 . . . . 0.0 111.617 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -57.7 -30.74 65.75 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 125.441 1.496 . . . . 0.0 112.246 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.446 ' HB2' HG23 ' A' ' 33' ' ' THR . 43.1 mm-40 -72.85 -52.14 16.02 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 118.645 -0.693 . . . . 0.0 109.703 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.511 ' CD1' HD11 ' A' ' 10' ' ' ILE . 47.4 pt -63.9 -16.51 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 119.244 0.929 . . . . 0.0 112.555 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -66.89 -27.59 67.63 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -114.21 -22.92 9.72 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-O 117.475 -1.25 . . . . 0.0 112.835 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -71.12 105.51 3.41 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 104.288 -2.486 . . . . 0.0 104.288 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 m -69.85 175.07 4.58 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 122.192 0.996 . . . . 0.0 112.114 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -50.91 -31.77 18.6 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.1 1.36 . . . . 0.0 113.593 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -71.55 -50.44 31.12 Favored 'General case' 0 CA--C 1.526 0.057 0 C-N-CA 125.392 1.477 . . . . 0.0 111.238 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -38.84 85.59 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 mp -58.96 -51.57 69.51 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.24 91.21 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.146 0.43 . . . . 0.0 110.811 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.4 t -61.49 -36.0 79.27 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.632 1.573 . . . . 0.0 111.583 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 mt -75.91 27.15 0.11 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.42 1.888 . . . . 0.0 111.829 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp 69.13 -2.75 1.71 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 128.768 2.827 . . . . 0.0 113.278 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.2 mm -65.51 125.1 88.96 Favored Pre-proline 0 CA--C 1.538 0.507 0 O-C-N 121.246 -0.909 . . . . 0.0 111.012 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -69.3 145.24 59.16 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.097 1.865 . . . . 0.0 108.935 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -51.7 -39.98 59.32 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -178.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -62.03 -44.58 96.4 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -82.02 -43.98 17.25 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 118.876 -0.583 . . . . 0.0 109.472 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -38.69 60.27 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.114 0.87 . . . . 0.0 110.298 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -63.24 -38.0 89.44 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.432 0.693 . . . . 0.0 110.442 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.93 -51.37 62.24 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 119.274 0.943 . . . . 0.0 111.105 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.0 tt -61.46 -53.91 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -58.18 -57.26 13.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.075 0.859 . . . . 0.0 110.761 -178.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -57.23 -37.09 71.75 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 119.06 0.845 . . . . 0.0 110.269 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.19 -50.96 61.94 Favored Glycine 0 CA--C 1.524 0.654 0 CA-C-N 118.856 0.753 . . . . 0.0 111.798 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.6 tt -71.86 -40.67 69.12 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.658 0 CA-C-N 118.342 1.071 . . . . 0.0 111.7 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.1 -35.22 73.05 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -73.92 -37.93 64.46 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.807 0.813 . . . . 0.0 111.208 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -63.59 -55.29 24.84 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -30.03 70.96 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 118.887 -0.578 . . . . 0.0 110.045 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -72.8 -21.66 60.95 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.448 1.022 . . . . 0.0 111.978 178.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.5 mt -113.35 -12.44 13.02 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.27 159.25 41.54 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.001 1.72 . . . . 0.0 109.796 -179.215 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 C--O 1.25 1.103 0 C-N-CA 126.884 2.074 . . . . 0.0 106.185 -179.159 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.89 0 CA-C-O 118.709 -1.051 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -62.72 -59.82 0.22 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.833 2.355 . . . . 0.0 108.229 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -94.17 150.98 19.82 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 104.652 -2.351 . . . . 0.0 104.652 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.71 38.04 0.08 OUTLIER Glycine 0 CA--C 1.525 0.689 0 C-N-CA 124.412 1.006 . . . . 0.0 112.867 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -61.95 -18.66 61.12 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.624 1.212 . . . . 0.0 113.973 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.9 p -109.51 171.02 7.69 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 123.959 0.904 . . . . 0.0 110.471 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -95.36 122.85 38.51 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.686 1.195 . . . . 0.0 108.757 -179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.3 p -144.26 -7.39 0.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.3 m -139.9 149.97 44.02 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 120.882 1.674 . . . . 0.0 109.819 -178.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 32' ' ' THR . 74.6 mt -49.26 -27.62 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 C-N-CA 125.46 1.504 . . . . 0.0 112.129 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 m -49.34 -47.05 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 119.454 1.025 . . . . 0.0 112.618 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 t -69.35 -41.14 76.99 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.423 0.63 . . . . 0.0 110.171 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -62.85 -46.84 86.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.467 0.651 . . . . 0.0 109.874 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -62.16 -37.5 85.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.965 1.306 . . . . 0.0 110.616 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.58 -45.81 88.28 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -62.65 -41.91 99.31 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 118.552 -0.737 . . . . 0.0 111.234 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.2 mt -62.91 -45.69 91.32 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.381 0.991 . . . . 0.0 109.829 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.04 30.88 5.85 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 125.168 1.366 . . . . 0.0 110.427 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.6 p -78.85 168.99 18.92 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.243 1.022 . . . . 0.0 109.262 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.3 m -133.32 -66.64 0.65 Allowed 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.196 0.453 . . . . 0.0 111.276 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.6 m -65.88 -32.9 74.68 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.252 0.549 . . . . 0.0 111.996 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.4 m -64.3 -42.28 96.46 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.059 0.944 . . . . 0.0 112.669 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -35.96 81.25 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 124.522 1.139 . . . . 0.0 110.136 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -63.43 -49.43 73.72 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -56.68 -54.38 46.76 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.942 0.776 . . . . 0.0 109.946 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -54.92 -52.03 64.2 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.1 p -61.17 -51.11 70.42 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.802 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.2 m -62.93 -36.17 82.53 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.306 0.957 . . . . 0.0 111.057 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -69.78 -17.69 63.44 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.19 0.904 . . . . 0.0 111.058 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.85 33.91 85.56 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 125.915 1.721 . . . . 0.0 112.984 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.74 21.67 8.33 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.037 1.335 . . . . 0.0 113.38 -177.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.437 ' HA ' HD12 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -84.8 119.21 25.05 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 121.442 -0.786 . . . . 0.0 108.904 -179.675 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -155.96 146.77 22.09 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 176.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.5 mm -79.44 -50.18 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-O 123.087 1.422 . . . . 0.0 111.326 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -60.1 -30.43 69.25 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.333 1.453 . . . . 0.0 111.531 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -76.2 -43.72 41.09 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 118.292 -0.861 . . . . 0.0 109.63 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.5 pt -64.92 -18.64 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 119.918 1.236 . . . . 0.0 111.999 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -72.38 -18.85 61.7 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -114.87 -24.56 8.6 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.308 0.958 . . . . 0.0 110.708 178.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -74.88 99.03 3.68 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.6 p -72.09 177.84 4.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.801 1.24 . . . . 0.0 112.682 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.8 ptm -53.01 -27.33 18.86 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.139 0.976 . . . . 0.0 113.552 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -75.9 -50.41 15.11 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.228 1.011 . . . . 0.0 111.024 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -34.24 77.28 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.6 mt -68.83 -49.06 61.62 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.58 -38.29 77.58 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.9 t -61.0 -39.46 89.79 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.441 1.496 . . . . 0.0 108.66 178.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.6 mt -71.57 13.01 0.28 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.506 1.522 . . . . 0.0 112.386 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? 73.76 8.54 4.91 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 129.083 2.953 . . . . 0.0 112.16 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.409 HG22 ' HB2' ' A' ' 55' ' ' ARG . 38.6 mm -70.39 114.34 25.25 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -67.26 145.04 70.85 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 121.388 1.392 . . . . 0.0 108.795 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -51.61 -35.11 40.3 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -58.18 -52.83 63.91 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.26 1.024 . . . . 0.0 109.653 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -76.96 -41.43 43.18 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.547 0.739 . . . . 0.0 110.147 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.409 ' HB2' HG22 ' A' ' 50' ' ' ILE . 8.0 tmm_? -48.15 -46.49 34.59 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.623 1.969 . . . . 0.0 111.15 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -62.38 -38.37 89.31 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.265 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.84 -50.04 72.51 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.903 1.229 . . . . 0.0 112.421 -178.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.0 tt -63.2 -54.17 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.648 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -62.3 -51.08 69.1 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 123.685 0.616 . . . . 0.0 112.347 -177.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -58.45 -41.52 85.31 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 117.993 -1.004 . . . . 0.0 109.363 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.04 -50.43 65.48 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 118.701 0.682 . . . . 0.0 112.169 -177.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.59 -42.64 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 CA-C-N 118.19 0.995 . . . . 0.0 111.677 -178.081 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.4 -34.95 79.11 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 118.937 -1.105 . . . . 0.0 108.674 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -72.04 -38.38 69.52 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.812 -0.555 . . . . 0.0 111.16 -178.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -66.38 -55.99 13.23 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 127.274 2.23 . . . . 0.0 109.193 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -31.05 72.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -75.02 -29.71 60.9 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 118.737 -1.185 . . . . 0.0 111.724 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.8 mt -89.03 -45.98 9.21 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.976 1.262 . . . . 0.0 113.494 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.9 t60 44.21 44.06 6.23 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 127.972 2.509 . . . . 0.0 111.019 -178.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--O 1.246 0.889 0 C-N-CA 126.753 2.021 . . . . 0.0 112.31 -179.454 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.05 0 CA-C-O 118.765 -1.02 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -68.52 100.1 0.66 Allowed 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 123.933 3.089 . . . . 0.0 109.077 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -136.96 88.57 2.37 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 124.583 1.153 . . . . 0.0 108.788 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.91 98.16 0.12 Allowed Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m -149.28 172.78 14.32 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.91 1.684 . . . . 0.0 106.847 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.62 87.17 2.39 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 123.779 0.832 . . . . 0.0 108.863 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -162.17 136.66 6.8 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 126.422 1.889 . . . . 0.0 107.297 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 66.0 m -67.66 131.69 46.07 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.8 m -151.84 165.92 33.03 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.077 1.351 . . . . 0.0 107.675 179.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.54 HD13 ' HB3' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -54.31 -25.52 13.9 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 CA-C-O 117.253 -1.356 . . . . 0.0 113.349 -178.771 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 m -56.06 -45.6 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 120.051 1.296 . . . . 0.0 110.244 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 t -67.5 -41.08 85.05 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.285 0.634 . . . . 0.0 109.68 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.54 ' HB3' HD13 ' A' ' 10' ' ' ILE . 60.2 t80 -62.46 -48.14 80.95 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.566 ' HE2' HD13 ' A' ' 58' ' ' ILE . 5.7 m-30 -60.71 -39.04 87.09 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 117.853 -1.07 . . . . 0.0 110.715 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.9 -37.43 84.59 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 118.533 0.606 . . . . 0.0 109.626 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.6 mtm105 -75.3 -38.08 60.49 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.046 0.384 . . . . 0.0 110.379 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.7 mt -64.01 -41.15 97.55 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.3 6.3 20.28 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 125.928 1.728 . . . . 0.0 111.756 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.2 m -59.4 158.7 9.04 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.037 1.419 . . . . 0.0 111.018 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.0 t -133.06 -90.1 0.4 Allowed 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.85 -32.42 44.57 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.172 1.789 . . . . 0.0 113.102 -178.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.5 m -68.49 -26.85 65.67 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.25 -0.906 . . . . 0.0 111.824 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.83 -43.1 76.19 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.65 -45.61 88.95 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 126.105 1.762 . . . . 0.0 110.512 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -61.47 -53.99 49.26 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.72 -49.26 73.52 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.3 p -64.52 -39.02 93.01 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.036 0.934 . . . . 0.0 111.144 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.9 m -67.73 -37.39 82.12 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -74.58 -20.02 60.09 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.761 0.71 . . . . 0.0 110.24 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.69 35.33 91.88 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 127.132 2.301 . . . . 0.0 113.861 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.87 18.76 10.18 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.527 1.531 . . . . 0.0 113.248 -178.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.17 119.32 24.87 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.53 149.38 25.39 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.2 mt -79.14 -56.04 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 122.543 1.163 . . . . 0.0 112.634 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -62.59 -25.97 68.36 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 125.964 1.705 . . . . 0.0 113.611 -177.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -76.47 -53.75 7.68 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.525 HD12 HD11 ' A' ' 58' ' ' ILE . 24.5 pt -62.95 -14.26 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 118.788 0.722 . . . . 0.0 112.629 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -76.4 -20.11 57.46 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.993 0.917 . . . . 0.0 109.8 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -115.07 -23.06 9.21 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.823 1.649 . . . . 0.0 111.382 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -79.11 100.77 7.54 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 103.546 -2.761 . . . . 0.0 103.546 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.3 m -64.18 175.05 1.36 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.527 1.131 . . . . 0.0 112.183 -179.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 60.9 mtm -59.91 -28.75 67.86 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 120.883 -1.136 . . . . 0.0 110.74 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.15 -43.16 99.32 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.703 0.801 . . . . 0.0 109.288 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.15 -51.57 63.21 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 124.108 0.963 . . . . 0.0 109.024 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.7 mt -55.93 -45.73 78.67 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 123.786 0.834 . . . . 0.0 110.614 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.53 98.79 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 t -64.27 -29.08 70.18 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.591 -0.693 . . . . 0.0 110.51 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 mt -80.97 13.1 2.87 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.829 2.052 . . . . 0.0 111.35 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? 68.1 16.37 9.46 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 127.098 2.159 . . . . 0.0 112.675 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.9 mm -73.39 122.34 87.38 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -66.54 135.36 38.82 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.324 2.682 . . . . 0.0 110.893 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -41.22 -45.82 2.97 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.367 1.867 . . . . 0.0 115.149 -177.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -55.66 -51.39 67.42 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.97 0.908 . . . . 0.0 112.613 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -81.62 -43.9 17.97 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.12 0.968 . . . . 0.0 109.641 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.8 tmm_? -48.14 -53.43 16.75 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 126.756 2.022 . . . . 0.0 109.93 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -65.39 -30.67 71.51 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.318 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.81 -51.45 55.46 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 119.751 1.16 . . . . 0.0 111.485 -179.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.566 HD13 ' HE2' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -63.13 -52.36 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.849 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -55.97 -50.9 69.51 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 110.183 -178.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -57.15 -39.41 75.18 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 117.432 -1.271 . . . . 0.0 109.241 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.81 -51.18 59.02 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-N 119.692 1.133 . . . . 0.0 114.459 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.3 tt -70.79 -41.35 77.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-N 118.733 1.267 . . . . 0.0 110.552 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.68 -35.49 74.56 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.35 -31.52 64.01 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 125.616 1.566 . . . . 0.0 111.293 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -67.2 -50.22 61.72 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -69.07 -37.26 78.4 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 117.915 -1.514 . . . . 0.0 108.917 179.385 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.449 ' N ' ' HG2' ' A' ' 66' ' ' ARG . 22.7 tp60 -67.34 -19.7 65.48 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 124.266 0.979 . . . . 0.0 111.86 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.72 -34.23 14.01 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.662 1.119 . . . . 0.0 108.607 177.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -80.23 -179.91 7.32 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.653 1.181 . . . . 0.0 108.119 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 . . . . . 0 C--O 1.249 1.027 0 C-N-CA 125.796 1.638 . . . . 0.0 106.908 178.68 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.602 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.86 114.9 4.14 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 122.324 2.016 . . . . 0.0 107.647 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.1 mp -97.79 -178.63 4.16 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.2 -81.23 0.04 OUTLIER Glycine 0 C--N 1.332 0.344 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 m 52.29 57.08 6.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.244 0.618 . . . . 0.0 111.108 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.67 -0.3 23.76 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.107 0.963 . . . . 0.0 110.614 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -68.76 130.24 42.26 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.358 1.463 . . . . 0.0 114.0 -178.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 91.3 m -79.36 96.45 6.0 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.7 m -165.28 171.85 13.07 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 126.436 1.894 . . . . 0.0 109.364 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.501 HD11 ' CD1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -58.63 -28.43 36.85 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.333 178.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 m -52.92 -43.08 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 CA-C-N 118.922 0.783 . . . . 0.0 111.084 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -64.08 -41.28 97.37 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.856 0.462 . . . . 0.0 109.837 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -68.45 -48.81 63.58 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -60.04 -39.74 86.95 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 121.1 -1.0 . . . . 0.0 109.458 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.51 -38.18 88.94 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -64.23 -45.1 89.69 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.379 0.991 . . . . 0.0 108.48 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.2 mt -66.18 -23.98 66.55 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.059 0.845 . . . . 0.0 111.125 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.22 38.67 7.69 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 108.393 -1.883 . . . . 0.0 108.393 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.1 m -73.47 161.02 30.86 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.083 0.942 . . . . 0.0 110.761 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.4 t -127.8 -101.38 0.34 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 m -52.57 -29.92 28.1 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.56 1.544 . . . . 0.0 114.052 -178.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.3 m -62.58 -36.04 81.42 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.07 0.395 . . . . 0.0 111.071 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -38.82 82.19 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.091 0.956 . . . . 0.0 108.881 -179.149 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -63.85 -50.84 67.26 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.904 1.682 . . . . 0.0 108.803 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -56.88 -48.81 77.3 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.565 0.62 . . . . 0.0 109.479 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.29 -45.4 91.36 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.5 t -72.02 -34.53 68.91 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 118.307 0.503 . . . . 0.0 110.533 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.4 -36.95 84.14 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.378 0.99 . . . . 0.0 109.197 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -76.82 -27.19 55.09 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 118.774 -0.631 . . . . 0.0 111.952 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.02 37.85 49.12 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 123.89 0.757 . . . . 0.0 112.69 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.67 28.67 2.67 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.895 1.278 . . . . 0.0 112.457 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . 0.273 3.6 t -84.8 116.68 23.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 120.914 -1.116 . . . . 0.0 109.98 -177.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.484 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -157.09 147.73 21.43 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 121.398 -0.813 . . . . 0.0 111.408 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 mt -79.91 -51.52 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 122.62 1.2 . . . . 0.0 109.761 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -56.67 -27.35 58.53 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 126.676 1.99 . . . . 0.0 111.953 -177.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.484 ' HB2' HG23 ' A' ' 33' ' ' THR . 19.4 mm100 -82.18 -51.14 8.25 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 117.71 -1.138 . . . . 0.0 110.459 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.501 ' CD1' HD11 ' A' ' 10' ' ' ILE . 44.7 pt -60.72 -23.31 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 119.592 1.087 . . . . 0.0 110.831 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.03 -29.81 65.63 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.434 1.094 . . . . 0.0 109.252 178.297 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -114.73 -23.11 9.36 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.999 0.919 . . . . 0.0 112.637 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.441 ' HB2' ' HA ' ' A' ' 37' ' ' ILE . 8.6 m-85 -73.74 105.7 5.16 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 105.669 -1.974 . . . . 0.0 105.669 177.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 m -74.05 177.29 5.79 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.445 -0.785 . . . . 0.0 109.744 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -51.5 -22.23 3.0 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -68.6 -48.37 64.32 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.941 1.246 . . . . 0.0 109.626 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -46.15 89.08 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.7 mp -56.95 -43.24 81.35 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.86 -48.3 81.16 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.694 -1.254 . . . . 0.0 109.915 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.0 m -65.48 -20.55 66.4 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.394 -0.816 . . . . 0.0 112.258 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.1 mt -89.16 15.8 8.25 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.253 1.421 . . . . 0.0 111.592 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 71.11 25.65 3.63 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 127.139 2.176 . . . . 0.0 112.401 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.8 mm -100.12 98.65 7.91 Favored Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 105.606 -1.998 . . . . 0.0 105.606 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.55 158.18 44.09 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.173 2.582 . . . . 0.0 110.888 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -37.39 12.08 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.031 1.333 . . . . 0.0 113.438 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -54.53 -24.25 19.97 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.852 2.061 . . . . 0.0 113.322 -178.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -127.83 -40.65 1.7 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.337 1.055 . . . . 0.0 109.989 178.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -47.33 -40.72 17.81 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 126.638 1.975 . . . . 0.0 111.658 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -64.16 -31.4 72.58 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 117.496 -1.24 . . . . 0.0 110.767 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.16 -48.85 31.88 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 120.049 1.295 . . . . 0.0 111.479 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 tt -60.66 -52.84 56.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -62.62 -56.13 20.65 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 123.725 0.641 . . . . 0.0 110.557 -177.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -57.87 -40.54 80.44 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 118.465 -0.779 . . . . 0.0 110.847 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.3 -49.25 80.67 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 119.329 0.968 . . . . 0.0 112.971 -178.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.76 -41.03 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 122.062 -0.669 . . . . 0.0 109.275 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.22 -32.59 73.28 Favored 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -72.03 -37.17 69.78 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.31 1.044 . . . . 0.0 109.458 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -67.36 -56.98 7.48 Favored 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 125.025 1.33 . . . . 0.0 109.347 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.62 -31.48 72.33 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 123.594 0.559 . . . . 0.0 110.491 -179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -72.1 -38.66 69.29 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 118.536 0.607 . . . . 0.0 110.276 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.5 mt -93.46 -3.72 52.54 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -160.17 116.78 2.46 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.374 1.07 . . . . 0.0 109.175 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 C--O 1.246 0.872 0 C-N-CA 125.197 1.399 . . . . 0.0 107.49 179.387 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 C--O 1.235 0.33 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.42 HG22 ' CD2' ' A' ' 14' ' ' PHE . 25.3 mt -60.74 -23.09 27.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 123.96 0.904 . . . . 0.0 109.875 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.2 m -48.54 -52.5 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 119.184 0.902 . . . . 0.0 110.836 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.4 t -65.28 -34.74 79.07 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 122.293 1.044 . . . . 0.0 111.494 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -69.23 -38.49 78.54 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 122.876 1.322 . . . . 0.0 110.597 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.42 ' CD2' HG22 ' A' ' 10' ' ' ILE . 3.6 m-30 -72.68 -38.72 67.51 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 120.316 -1.49 . . . . 0.0 108.762 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.0 -50.2 71.53 Favored 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 124.198 0.936 . . . . 0.0 108.5 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -63.25 -47.93 80.37 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.8 mt -61.66 -32.75 72.94 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.347 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.67 4.32 34.42 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 125.286 1.422 . . . . 0.0 109.898 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.6 m -66.78 127.27 31.83 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.8 t -110.66 -85.13 0.55 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.135 0.974 . . . . 0.0 111.266 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 m -52.27 -32.46 37.42 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.898 1.226 . . . . 0.0 113.736 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.3 m -66.56 -30.92 71.34 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.57 -0.706 . . . . 0.0 111.6 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.24 -39.23 65.64 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -58.76 -50.29 74.46 Favored 'General case' 0 CA--C 1.516 -0.339 0 O-C-N 125.05 1.469 . . . . 0.0 108.039 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -58.07 -50.64 72.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -51.65 67.27 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.8 t -66.26 -34.9 79.04 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.549 0.613 . . . . 0.0 110.095 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.6 m -65.61 -43.3 90.04 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -66.67 -27.56 67.76 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.275 0.943 . . . . 0.0 108.904 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.75 21.02 64.56 Favored Glycine 0 C--N 1.342 0.883 0 C-N-CA 124.527 1.061 . . . . 0.0 113.553 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.18 28.77 8.17 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.461 1.905 . . . . 0.0 112.358 -178.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 t -89.08 119.29 29.46 Favored 'General case' 0 CA--C 1.519 -0.217 0 O-C-N 120.234 -1.541 . . . . 0.0 108.647 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.454 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -156.26 148.23 23.12 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 178.666 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -79.03 -54.22 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 122.039 0.923 . . . . 0.0 112.473 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -62.23 -24.59 67.33 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.639 0.776 . . . . 0.0 111.997 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.454 ' HB2' HG23 ' A' ' 33' ' ' THR . 70.2 mm-40 -75.75 -48.27 22.49 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 118.165 -0.921 . . . . 0.0 109.892 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.6 pt -60.78 -25.15 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 120.385 1.448 . . . . 0.0 111.551 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -69.32 -19.1 63.88 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.23 1.012 . . . . 0.0 110.037 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.94 -22.98 9.83 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.387 1.475 . . . . 0.0 111.087 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -86.46 96.78 10.16 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.11 1.364 . . . . 0.0 108.352 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.56 173.97 3.07 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.592 1.157 . . . . 0.0 111.018 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -49.01 -27.57 3.29 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.591 1.957 . . . . 0.0 114.334 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.5 -43.3 49.8 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.625 0.77 . . . . 0.0 112.701 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -45.07 91.2 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.1 mt -58.72 -44.37 90.4 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.657 1.183 . . . . 0.0 108.368 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.33 94.35 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.5 m -67.0 -16.27 64.26 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.184 0.593 . . . . 0.0 112.146 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.74 7.81 13.93 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.593 1.157 . . . . 0.0 108.829 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? 71.92 27.01 2.83 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 127.452 2.301 . . . . 0.0 110.861 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.2 mm -91.51 117.81 68.02 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.6 148.09 41.57 Favored 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 123.38 2.72 . . . . 0.0 112.2 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -36.39 17.27 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.185 2.194 . . . . 0.0 113.191 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -55.15 -28.17 50.89 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.707 0.803 . . . . 0.0 112.26 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -117.57 -43.96 2.78 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.931 0.892 . . . . 0.0 109.934 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -44.94 -54.99 5.89 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.98 2.112 . . . . 0.0 113.938 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -65.95 -30.01 70.51 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 119.067 -1.053 . . . . 0.0 110.705 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.77 -49.38 59.11 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 119.399 1.0 . . . . 0.0 109.592 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.3 tt -54.7 -50.0 63.66 Favored 'Isoleucine or valine' 0 C--O 1.244 0.768 0 CA-C-N 119.711 1.141 . . . . 0.0 110.048 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -64.79 -46.17 83.18 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 113.953 -1.476 . . . . 0.0 110.303 -178.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -59.57 -42.0 91.45 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 116.906 -1.521 . . . . 0.0 110.583 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.86 -50.74 62.78 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 119.441 1.019 . . . . 0.0 111.754 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.3 tp -69.3 -42.92 81.49 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.98 -32.52 74.09 Favored 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.5 -36.88 71.26 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -65.83 -56.33 12.44 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 123.403 0.681 . . . . 0.0 109.261 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -64.07 -25.41 68.1 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.325 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -76.7 -40.27 49.33 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.307 0.958 . . . . 0.0 110.012 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.8 mt . . . . . 0 C--O 1.236 0.355 0 CA-C-O 117.807 -1.092 . . . . 0.0 113.528 -179.477 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 mm -52.63 -29.72 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 117.617 -1.183 . . . . 0.0 112.756 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.5 m -50.35 -47.79 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 O-C-N 124.126 0.891 . . . . 0.0 110.877 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 t -60.75 -41.39 95.33 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.546 1.138 . . . . 0.0 110.243 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -66.79 -51.83 51.12 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.663 0.785 . . . . 0.0 110.438 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.54 -41.66 97.67 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.754 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.9 -48.69 80.68 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -62.57 -47.32 84.36 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.468 -0.77 . . . . 0.0 111.728 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.89 -31.0 72.03 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.166 0.439 . . . . 0.0 110.778 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.24 21.26 23.08 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 125.113 1.339 . . . . 0.0 110.174 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 39.3 m -60.98 143.64 54.86 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.151 0.975 . . . . 0.0 109.681 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.6 t -110.94 -111.75 0.33 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.463 1.105 . . . . 0.0 109.287 -179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 m -52.15 -21.41 3.28 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.073 1.749 . . . . 0.0 114.952 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 57.1 m -65.14 -30.32 71.24 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.293 -0.879 . . . . 0.0 109.666 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.37 -42.63 87.68 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 178.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -58.02 -44.59 87.4 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 126.573 1.949 . . . . 0.0 109.562 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 -63.14 -51.98 64.34 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.42 ' HB3' HG22 ' A' ' 32' ' ' THR . 1.1 m-85 -55.13 -50.16 69.97 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.0 t -60.55 -38.5 84.69 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.026 0.83 . . . . 0.0 109.319 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.0 m -63.75 -31.39 72.55 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.332 -0.855 . . . . 0.0 109.707 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -80.78 -24.47 38.58 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 120.901 -1.124 . . . . 0.0 110.314 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.64 39.73 97.87 Favored Glycine 0 C--N 1.342 0.87 0 CA-C-N 119.702 1.137 . . . . 0.0 112.294 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 pp -141.9 34.74 1.57 Allowed 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.779 1.232 . . . . 0.0 111.796 -178.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.42 HG22 ' HB3' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -84.24 117.52 23.58 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 -179.719 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.411 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -156.7 147.78 22.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.803 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 mt -79.61 -51.74 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 122.345 1.069 . . . . 0.0 111.762 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -56.0 -23.6 33.79 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 126.462 1.905 . . . . 0.0 111.936 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HB2' HG23 ' A' ' 33' ' ' THR . 46.3 mm-40 -86.76 -43.33 12.62 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 117.803 -1.094 . . . . 0.0 110.673 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.8 pt -62.48 -23.48 32.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 120.04 1.291 . . . . 0.0 110.771 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.4 -17.2 63.64 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.544 1.066 . . . . 0.0 110.222 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -114.83 -22.35 9.69 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.642 1.177 . . . . 0.0 113.285 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -76.41 151.66 36.48 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -114.01 175.12 5.61 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 123.778 0.831 . . . . 0.0 110.867 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.5 ptp -49.66 -31.1 10.25 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.55 1.54 . . . . 0.0 113.163 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.62 -41.65 92.44 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 126.35 1.86 . . . . 0.0 111.814 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.68 -43.24 48.37 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.7 mt -55.23 -41.0 71.51 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.35 -46.42 83.55 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.3 t -56.81 -43.41 80.94 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.054 0.942 . . . . 0.0 110.168 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.7 mt -76.55 29.22 0.12 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.691 1.996 . . . . 0.0 112.043 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt 65.27 11.14 7.03 Favored 'General case' 0 N--CA 1.46 0.056 0 C-N-CA 127.738 2.415 . . . . 0.0 116.17 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.3 mt -84.66 104.78 4.98 Favored Pre-proline 0 CA--C 1.549 0.908 0 CA-C-N 120.955 1.707 . . . . 0.0 111.527 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -78.28 159.62 29.59 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.883 2.389 . . . . 0.0 110.815 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.414 ' HA ' ' HB3' ' A' ' 55' ' ' ARG . 1.2 pm0 -55.85 -27.23 50.55 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -58.3 -23.14 55.44 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.836 0.744 . . . . 0.0 111.918 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -128.21 -32.97 2.2 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.045 1.338 . . . . 0.0 111.907 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.414 ' HB3' ' HA ' ' A' ' 52' ' ' GLU . 49.1 ttp180 -51.63 -38.24 53.81 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 126.026 1.731 . . . . 0.0 111.105 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -64.57 -33.81 76.78 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-O 118.81 -0.614 . . . . 0.0 110.331 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.56 -51.18 59.27 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 119.618 1.099 . . . . 0.0 111.891 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.8 tt -61.2 -53.88 42.85 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 123.48 0.712 . . . . 0.0 109.502 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -59.32 -56.85 16.86 Favored 'General case' 0 N--CA 1.441 -0.894 0 O-C-N 124.353 1.033 . . . . 0.0 110.871 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -57.51 -39.39 76.41 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 118.785 -0.626 . . . . 0.0 110.824 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.89 -50.36 68.4 Favored Glycine 0 CA--C 1.523 0.589 0 CA-C-N 119.407 1.003 . . . . 0.0 112.339 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 5.6 tp -74.15 -39.02 49.64 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.636 0 CA-C-O 119.089 -0.482 . . . . 0.0 111.888 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.46 -32.64 74.15 Favored 'General case' 0 C--O 1.223 -0.299 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -72.33 -40.38 67.48 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -63.55 -56.86 12.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.688 1.195 . . . . 0.0 108.738 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -26.6 68.74 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 118.687 -0.673 . . . . 0.0 110.564 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -78.62 -21.83 47.89 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.249 0.931 . . . . 0.0 110.827 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -178.669 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.9 m . . . . . 0 C--O 1.236 0.392 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.457 HD11 ' CD1' ' A' ' 37' ' ' ILE . 7.0 mm -52.16 -27.68 10.1 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 C-N-CA 124.58 1.152 . . . . 0.0 114.109 -178.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -53.47 -45.64 58.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 118.345 0.521 . . . . 0.0 110.315 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -74.41 -35.42 63.42 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 124.114 0.966 . . . . 0.0 110.966 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -63.24 -48.51 77.93 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.625 ' HE2' HD13 ' A' ' 58' ' ' ILE . 4.1 m-30 -61.76 -35.83 79.26 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.38 97.46 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -68.77 -44.25 74.08 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.861 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.98 -39.16 93.87 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.6 11.3 17.54 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 125.673 1.606 . . . . 0.0 112.213 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 t -57.32 159.08 4.91 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.862 1.331 . . . . 0.0 111.864 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.3 t -125.5 -105.45 0.34 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.702 1.201 . . . . 0.0 109.048 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.8 m -52.25 -28.08 17.39 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 116.585 2.069 . . . . 0.0 116.585 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.3 m -72.04 -24.14 61.49 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 120.173 1.351 . . . . 0.0 111.51 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -41.49 67.93 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 177.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.56 -45.99 90.41 Favored 'General case' 0 CA--C 1.515 -0.372 0 O-C-N 123.616 0.572 . . . . 0.0 110.185 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -56.1 -47.61 77.74 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -57.55 -50.71 72.19 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.268 0.485 . . . . 0.0 111.0 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.9 p -61.38 -45.3 94.94 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.264 0.938 . . . . 0.0 111.231 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.5 m -62.96 -28.95 70.44 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.938 1.695 . . . . 0.0 110.301 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -84.95 -23.35 28.83 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.09 0.956 . . . . 0.0 111.824 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.14 40.53 71.71 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.929 1.252 . . . . 0.0 113.071 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.03 23.66 4.2 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.099 1.759 . . . . 0.0 113.167 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.74 118.37 23.86 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 120.964 -1.085 . . . . 0.0 109.123 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.98 146.74 22.03 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 177.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.2 mm -79.13 -55.6 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-O 122.803 1.287 . . . . 0.0 112.065 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -59.25 -20.27 52.74 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 126.441 1.896 . . . . 0.0 113.106 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -85.33 -42.33 14.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 118.566 -0.731 . . . . 0.0 112.616 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.457 ' CD1' HD11 ' A' ' 10' ' ' ILE . 16.2 pt -62.34 -19.36 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 119.69 1.132 . . . . 0.0 111.058 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -75.98 -12.06 60.07 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 118.985 0.811 . . . . 0.0 112.205 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -114.04 -23.58 9.47 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.803 0.841 . . . . 0.0 110.302 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -79.25 96.12 5.84 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.506 1.122 . . . . 0.0 108.248 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.2 m -67.16 173.98 3.47 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 122.422 1.106 . . . . 0.0 110.734 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 77.4 mtm -55.25 -31.05 61.23 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.393 1.077 . . . . 0.0 113.073 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -61.33 -50.33 73.4 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 118.912 0.778 . . . . 0.0 110.369 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -41.69 88.77 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 122.729 0.412 . . . . 0.0 109.97 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.6 mt -58.92 -51.22 70.99 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.83 -32.13 72.43 Favored 'General case' 0 C--O 1.238 0.474 0 O-C-N 121.223 -0.923 . . . . 0.0 112.081 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.5 t -67.81 -39.73 83.93 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.552 1.541 . . . . 0.0 109.748 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.2 mt -70.76 23.85 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 128.394 2.678 . . . . 0.0 113.536 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm 67.36 10.15 7.52 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 128.839 2.856 . . . . 0.0 112.949 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.2 mm -73.46 122.15 86.91 Favored Pre-proline 0 C--O 1.238 0.481 0 C-N-CA 124.321 1.048 . . . . 0.0 109.431 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.17 147.56 54.18 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 N-CA-C 107.583 -1.737 . . . . 0.0 107.583 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -51.56 -39.66 58.25 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 124.701 1.2 . . . . 0.0 113.996 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -56.41 -53.24 59.72 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.957 1.303 . . . . 0.0 112.234 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -76.38 -43.77 39.18 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.9 ttp85 -48.55 -47.18 39.58 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.32 1.048 . . . . 0.0 111.109 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -61.24 -35.53 77.51 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.351 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.59 -44.45 64.44 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 119.326 0.967 . . . . 0.0 112.219 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.625 HD13 ' HE2' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -64.44 -51.65 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 CA-C-N 118.941 0.792 . . . . 0.0 108.969 179.796 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -58.24 -44.57 88.34 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.172 -178.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -62.33 -40.64 97.0 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.379 178.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.13 -50.82 63.76 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 119.87 1.214 . . . . 0.0 112.288 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.9 tp -70.43 -41.74 78.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 118.658 -0.687 . . . . 0.0 112.134 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.97 -32.44 72.89 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -71.32 -39.41 71.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.258 0.552 . . . . 0.0 110.015 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -68.32 -52.63 31.31 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.486 1.115 . . . . 0.0 111.047 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -31.1 72.17 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 118.099 -0.953 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -77.27 -30.51 54.35 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 118.361 -1.335 . . . . 0.0 111.402 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.332 -0.156 0 C-N-CA 124.4 1.08 . . . . 0.0 111.242 179.371 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.448 -0.569 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 32' ' ' THR . 54.2 mt -58.33 -22.02 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 125.109 1.364 . . . . 0.0 110.356 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.2 m -48.89 -48.38 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.061 0.846 . . . . 0.0 112.453 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 t -65.05 -41.71 94.94 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 125.135 1.374 . . . . 0.0 109.888 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -61.8 -47.29 85.8 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.416 ' HZ ' HD12 ' A' ' 58' ' ' ILE . 6.7 m-30 -64.09 -36.38 83.84 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.69 1.196 . . . . 0.0 109.679 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.15 -35.44 80.29 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -71.9 -48.84 42.8 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.4 mt -62.96 -36.25 82.83 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.889 0.875 . . . . 0.0 112.612 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.68 15.69 14.58 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 125.757 1.646 . . . . 0.0 110.913 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -81.61 104.46 12.04 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.952 1.376 . . . . 0.0 107.676 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.2 m -84.13 -82.77 0.16 Allowed 'General case' 0 C--O 1.234 0.244 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -23.11 22.95 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.277 1.031 . . . . 0.0 113.681 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.3 m -66.48 -33.93 76.8 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 120.983 -1.073 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 pp -71.19 -35.95 71.76 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -61.43 -45.09 95.77 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 123.965 0.906 . . . . 0.0 109.576 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -59.18 -49.84 76.32 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -59.75 -53.39 58.55 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.403 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.0 p -52.64 -41.11 63.46 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 120.986 1.721 . . . . 0.0 111.463 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.1 m -65.99 -39.31 90.2 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.056 0.844 . . . . 0.0 110.133 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -68.95 -14.58 63.12 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 120.381 1.446 . . . . 0.0 111.321 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.89 31.11 77.22 Favored Glycine 0 C--N 1.342 0.862 0 C-N-CA 124.963 1.268 . . . . 0.0 113.421 178.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 pp -126.92 22.13 6.79 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.806 1.242 . . . . 0.0 113.446 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.497 ' HA ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -84.89 118.35 24.46 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 179.406 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -156.67 148.13 22.42 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.446 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.4 mt -78.74 -54.96 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 122.134 0.968 . . . . 0.0 111.009 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.85 -25.92 61.34 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 126.772 2.029 . . . . 0.0 112.953 -177.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.483 ' HB2' HG23 ' A' ' 33' ' ' THR . 31.6 mm-40 -79.27 -53.65 6.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 118.3 -0.857 . . . . 0.0 109.703 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.2 pt -60.44 -25.88 35.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-N 119.008 0.822 . . . . 0.0 110.414 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.71 -27.21 69.1 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.03 0.832 . . . . 0.0 110.973 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -111.53 -22.06 11.44 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.017 0.927 . . . . 0.0 113.007 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -77.78 115.62 17.67 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.8 m -70.43 164.97 23.5 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.63 -0.669 . . . . 0.0 109.955 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.0 ptm -54.58 -26.85 34.95 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.34 -45.36 94.76 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 125.687 1.595 . . . . 0.0 109.769 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -42.53 89.01 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 124.723 1.209 . . . . 0.0 109.695 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.6 mp -60.01 -42.71 94.92 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.68 92.08 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.254 -0.904 . . . . 0.0 108.778 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 72.8 m -65.95 -21.12 66.41 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.232 -0.918 . . . . 0.0 110.617 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.2 mt -91.3 19.38 6.04 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.074 1.35 . . . . 0.0 109.824 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt 67.87 13.47 9.19 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 128.586 2.755 . . . . 0.0 114.143 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.1 mm -72.85 120.9 83.38 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.02 138.53 37.2 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.23 2.62 . . . . 0.0 109.763 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.04 -43.99 3.41 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 127.83 2.452 . . . . 0.0 113.733 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -54.46 -49.94 68.87 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 123.91 0.884 . . . . 0.0 111.603 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -87.34 -40.5 14.39 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.24 0.616 . . . . 0.0 111.085 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -48.67 -41.81 32.61 Favored 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 126.357 1.863 . . . . 0.0 110.291 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -62.78 -38.0 88.91 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 118.629 -0.7 . . . . 0.0 111.045 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.22 -45.29 73.71 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 119.474 1.034 . . . . 0.0 111.865 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.416 HD12 ' HZ ' ' A' ' 14' ' ' PHE . 1.8 tt -61.87 -49.85 82.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 O-C-N 121.321 -0.862 . . . . 0.0 109.198 179.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -61.3 -56.7 17.54 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 124.44 1.088 . . . . 0.0 110.919 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -57.37 -44.99 84.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 118.462 -0.78 . . . . 0.0 110.55 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.39 -50.23 57.33 Favored Glycine 0 C--N 1.335 0.474 0 CA-C-N 118.819 0.736 . . . . 0.0 112.295 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -75.01 -39.8 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-O 118.842 -0.599 . . . . 0.0 112.023 -178.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.89 -34.45 77.98 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 119.734 -0.786 . . . . 0.0 108.939 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.87 -35.32 64.71 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -62.86 -56.85 13.66 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -30.31 71.4 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-O 119.114 -0.469 . . . . 0.0 110.493 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -67.32 -31.69 72.15 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 119.553 -0.859 . . . . 0.0 109.47 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 86.4 mt . . . . . 0 CA--C 1.537 0.46 0 N-CA-C 114.868 1.432 . . . . 0.0 114.868 -178.868 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.7 m . . . . . 0 C--O 1.236 0.382 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.404 ' CD1' HD13 ' A' ' 37' ' ' ILE . 40.1 mm -49.36 -29.23 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.773 1.629 . . . . 0.0 111.728 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -48.77 -48.88 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 t -67.42 -41.55 84.65 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 122.946 0.498 . . . . 0.0 111.442 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -63.27 -48.27 78.87 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.474 0.71 . . . . 0.0 109.683 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -62.8 -43.93 97.49 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.889 1.276 . . . . 0.0 110.277 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.14 -43.23 82.23 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -63.42 -49.65 72.91 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 118.635 0.652 . . . . 0.0 110.791 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.76 -38.54 88.39 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 117.783 0.265 . . . . 0.0 110.684 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.89 10.42 20.99 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 126.158 1.837 . . . . 0.0 111.079 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.8 m -79.27 102.99 8.89 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 105.144 -2.169 . . . . 0.0 105.144 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.7 t -87.57 -71.89 0.55 Allowed 'General case' 0 CA--C 1.527 0.095 0 CA-C-N 118.839 0.745 . . . . 0.0 112.384 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -52.45 -31.04 32.76 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.49 1.041 . . . . 0.0 112.67 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.4 m -63.28 -31.44 72.59 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 121.598 -0.689 . . . . 0.0 111.311 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.74 -38.83 73.56 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -60.78 -44.23 97.05 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -60.64 -51.69 68.32 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -56.75 -42.78 79.9 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.1 p -71.69 -39.84 69.96 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.691 0.796 . . . . 0.0 111.323 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.0 m -65.25 -40.65 94.28 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -71.73 -14.57 62.05 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.92 -0.488 . . . . 0.0 112.133 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.1 27.39 72.26 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 126.383 1.944 . . . . 0.0 113.878 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 pp -117.1 19.22 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 125.574 1.55 . . . . 0.0 112.996 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.33 115.88 22.72 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.36 148.11 21.34 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 177.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 mm -79.5 -55.45 9.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-O 122.396 1.093 . . . . 0.0 112.136 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -59.62 -18.49 41.96 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 126.697 1.999 . . . . 0.0 113.445 -177.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -85.27 -47.78 9.73 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 118.067 -0.968 . . . . 0.0 109.38 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.411 HG21 HD11 ' A' ' 58' ' ' ILE . 16.7 pt -63.98 -22.65 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 119.823 1.192 . . . . 0.0 111.468 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -63.44 -27.48 69.31 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.413 1.485 . . . . 0.0 109.69 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -114.44 -22.14 10.0 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.662 1.985 . . . . 0.0 113.276 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -76.04 98.83 4.42 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 m -70.81 172.23 9.21 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.641 0.776 . . . . 0.0 109.465 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -48.4 -34.32 10.65 Favored 'General case' 0 C--O 1.227 -0.118 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -177.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.66 -50.22 73.88 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.572 1.149 . . . . 0.0 110.107 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.94 -43.58 78.8 Favored 'General case' 0 CA--C 1.517 -0.312 0 O-C-N 121.749 -0.594 . . . . 0.0 110.822 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 mt -58.35 -48.61 80.01 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.02 97.91 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 119.203 -0.427 . . . . 0.0 110.366 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -63.82 -26.4 68.61 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.266 0.485 . . . . 0.0 111.273 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.5 mt -76.5 10.99 1.78 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.498 1.519 . . . . 0.0 110.59 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? 74.55 3.19 4.24 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 129.385 3.074 . . . . 0.0 113.112 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.8 mm -65.74 115.48 22.94 Favored Pre-proline 0 CA--C 1.533 0.316 0 N-CA-C 103.441 -2.8 . . . . 0.0 103.441 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.86 151.08 68.38 Favored 'Trans proline' 0 N--CA 1.451 -1.01 0 CA-C-N 120.31 1.147 . . . . 0.0 109.882 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -54.58 -35.63 63.52 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.398 1.079 . . . . 0.0 109.984 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -61.01 -14.47 23.3 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.337 2.255 . . . . 0.0 113.214 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -125.92 -38.57 2.18 Favored 'General case' 0 CA--C 1.522 -0.107 0 C-N-CA 125.387 1.475 . . . . 0.0 110.978 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.34 -34.0 45.41 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.5 1.046 . . . . 0.0 110.971 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -63.49 -32.2 73.58 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 119.232 0.924 . . . . 0.0 109.874 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.72 -53.71 30.62 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 119.88 1.218 . . . . 0.0 110.614 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.411 HD11 HG21 ' A' ' 37' ' ' ILE . 3.8 tt -61.04 -53.16 52.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -60.12 -49.87 75.93 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.61 -0.709 . . . . 0.0 112.019 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -61.91 -37.25 83.93 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 119.682 1.128 . . . . 0.0 110.442 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.72 -50.34 68.77 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 119.96 -1.114 . . . . 0.0 110.991 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.6 tp -70.35 -44.79 77.17 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.42 -34.34 73.81 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.02 -39.65 69.03 Favored 'General case' 0 C--O 1.222 -0.354 0 O-C-N 123.395 0.434 . . . . 0.0 109.925 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -66.66 -51.1 59.98 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.393 1.477 . . . . 0.0 110.533 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -28.35 67.12 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -79.29 -24.34 42.96 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.228 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.235 0.341 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 C--O 1.237 0.424 0 N-CA-C 106.708 -1.589 . . . . 0.0 106.708 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.507 HD11 HD11 ' A' ' 37' ' ' ILE . 17.0 mm -61.54 -18.15 18.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 CA-C-O 117.833 -1.079 . . . . 0.0 111.754 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 m -53.51 -51.68 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 119.205 0.912 . . . . 0.0 109.318 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.6 m -60.86 -42.19 97.39 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.147 1.379 . . . . 0.0 110.116 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -62.02 -45.53 93.19 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.534 -0.729 . . . . 0.0 109.518 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.674 ' HE2' HD13 ' A' ' 58' ' ' ILE . 2.9 m-85 -64.11 -39.9 95.05 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 117.52 -1.229 . . . . 0.0 110.666 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.15 -44.4 87.85 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.5 mtp85 -72.62 -35.22 67.77 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 mt -68.66 -35.37 77.15 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 119.166 -0.445 . . . . 0.0 109.997 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.35 6.38 36.2 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 125.944 1.735 . . . . 0.0 110.348 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 84.4 m -71.47 106.97 4.15 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.3 m -81.0 -100.51 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.627 1.571 . . . . 0.0 111.062 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.9 p -51.63 -26.56 9.19 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.413 1.885 . . . . 0.0 114.585 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 75.9 m -63.73 -32.38 73.85 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 120.833 -1.167 . . . . 0.0 110.683 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.43 -38.27 74.52 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -58.79 -44.67 90.78 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.023 0.929 . . . . 0.0 109.563 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -65.49 -49.7 68.04 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.98 -49.05 72.4 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.283 0.947 . . . . 0.0 112.887 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.9 p -62.24 -47.75 83.01 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.191 0.996 . . . . 0.0 110.159 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 m -65.03 -32.74 74.61 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.377 -0.82 . . . . 0.0 110.252 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -72.85 -26.95 61.65 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.964 1.256 . . . . 0.0 109.788 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.12 36.89 39.17 Favored Glycine 0 C--N 1.338 0.66 0 C-N-CA 124.531 1.063 . . . . 0.0 113.144 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.39 22.37 4.03 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.234 1.414 . . . . 0.0 113.636 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.41 118.07 24.03 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.004 -1.06 . . . . 0.0 108.209 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.479 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -156.93 149.62 23.52 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.096 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -78.51 -55.64 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.829 0.823 . . . . 0.0 111.693 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -59.57 -22.61 61.99 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 126.377 1.871 . . . . 0.0 112.918 -176.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.479 ' HB2' HG23 ' A' ' 33' ' ' THR . 35.3 mm-40 -83.87 -52.97 5.93 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 118.675 -0.679 . . . . 0.0 110.638 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.53 ' CD1' HD11 ' A' ' 58' ' ' ILE . 36.8 pt -62.05 -23.18 30.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 118.728 0.695 . . . . 0.0 110.837 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -64.83 -24.35 67.52 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 118.397 -0.811 . . . . 0.0 109.631 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -114.46 -23.45 9.33 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.582 1.083 . . . . 0.0 112.624 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -71.45 105.54 3.61 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.567 1.547 . . . . 0.0 108.078 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.0 m -67.6 170.53 7.54 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.567 0.698 . . . . 0.0 112.1 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -27.0 21.62 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.597 1.559 . . . . 0.0 112.267 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -64.67 -49.26 71.68 Favored 'General case' 0 N--CA 1.46 0.049 0 C-N-CA 124.859 1.264 . . . . 0.0 108.27 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.22 -45.25 94.17 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 mp -55.67 -47.41 76.76 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.86 -45.62 93.0 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 118.889 -0.577 . . . . 0.0 110.153 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 59.7 p -61.95 -32.53 72.96 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 118.913 0.779 . . . . 0.0 111.805 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.3 mt -75.79 11.78 1.27 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.715 1.606 . . . . 0.0 111.052 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.85 20.24 8.06 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 128.742 2.817 . . . . 0.0 113.351 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.3 mm -77.18 124.51 87.17 Favored Pre-proline 0 CA--C 1.543 0.694 0 CA-C-N 118.668 0.667 . . . . 0.0 109.254 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -66.41 135.35 39.18 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.92 2.413 . . . . 0.0 110.715 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -41.52 -50.49 3.98 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 116.867 2.173 . . . . 0.0 116.867 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -55.31 -42.45 73.72 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.351 1.06 . . . . 0.0 111.4 -177.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -86.18 -44.79 11.91 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.801 -0.618 . . . . 0.0 110.83 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -50.77 -48.15 59.42 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.734 0.814 . . . . 0.0 113.143 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -68.31 -25.32 65.07 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.322 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.39 -47.22 43.79 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 119.875 1.216 . . . . 0.0 110.443 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.674 HD13 ' HE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -62.1 -50.72 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.748 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -54.38 -51.96 63.18 Favored 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 124.298 0.999 . . . . 0.0 109.9 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -57.74 -39.89 78.39 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 118.529 -0.748 . . . . 0.0 109.98 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.91 -50.6 65.71 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 119.382 0.992 . . . . 0.0 113.376 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.5 tp -71.45 -40.88 72.87 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-N 118.06 0.93 . . . . 0.0 111.813 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.08 -32.43 72.97 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -73.29 -41.33 63.71 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -61.32 -56.96 14.54 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -23.77 66.09 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.011 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -67.15 -42.9 83.57 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 120.26 1.391 . . . . 0.0 108.702 177.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.9 mt . . . . . 0 C--O 1.234 0.266 0 C-N-CA 123.344 0.658 . . . . 0.0 111.201 -179.1 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.238 0.46 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mm -54.78 -22.18 9.27 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 CA-C-O 117.47 -1.252 . . . . 0.0 112.609 -178.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.2 m -55.43 -43.97 74.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 120.385 1.448 . . . . 0.0 110.394 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 t -68.36 -43.02 78.35 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 123.35 0.66 . . . . 0.0 109.915 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -66.83 -53.18 35.23 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 123.037 0.211 . . . . 0.0 111.473 -177.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.608 ' HE2' HD13 ' A' ' 58' ' ' ILE . 5.6 m-30 -58.87 -40.22 83.7 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.779 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.4 89.33 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -63.23 -36.74 84.67 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 118.692 0.678 . . . . 0.0 110.929 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.2 mt -66.2 -30.78 71.3 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.155 0.888 . . . . 0.0 110.117 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.77 16.12 18.34 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 126.055 1.788 . . . . 0.0 110.241 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 79.8 m -76.0 152.48 36.95 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.258 1.029 . . . . 0.0 110.283 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.7 t -123.25 -93.55 0.51 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.068 0.947 . . . . 0.0 109.148 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -52.36 -25.4 9.66 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.044 1.738 . . . . 0.0 114.102 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.2 m -64.33 -43.06 95.83 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 120.878 -1.139 . . . . 0.0 110.129 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.27 -34.06 74.18 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -59.72 -44.17 93.84 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 124.478 1.111 . . . . 0.0 108.87 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -64.62 -46.96 80.37 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.65 -43.56 89.83 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.3 p -67.37 -44.35 79.19 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 m -60.24 -42.19 94.75 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -71.66 -24.43 61.84 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.06 -1.025 . . . . 0.0 111.167 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.87 35.34 65.6 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 124.416 1.008 . . . . 0.0 112.294 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 pp -127.11 26.52 6.06 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.961 1.304 . . . . 0.0 112.508 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.44 115.94 22.81 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.194 -0.942 . . . . 0.0 108.654 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.77 148.28 20.8 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 122.067 -0.396 . . . . 0.0 112.044 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -79.54 -54.1 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.98 0.912 . . . . 0.0 112.039 178.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -60.71 -17.54 48.88 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 124.845 1.258 . . . . 0.0 113.567 -177.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -80.26 -49.98 10.85 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 58' ' ' ILE . 39.6 pt -63.11 -24.53 36.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 117.591 -1.195 . . . . 0.0 114.062 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -65.01 -19.28 65.92 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 121.04 1.745 . . . . 0.0 109.359 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -114.26 -22.82 9.75 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.258 1.023 . . . . 0.0 111.828 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -76.5 104.29 6.93 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 107.046 -1.465 . . . . 0.0 107.046 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -75.2 166.91 22.9 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 126.609 1.964 . . . . 0.0 110.436 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.09 -26.99 4.99 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.551 1.54 . . . . 0.0 114.92 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -75.34 -47.57 27.09 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 124.189 0.996 . . . . 0.0 110.544 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.56 -48.98 75.22 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 125.665 1.586 . . . . 0.0 108.208 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.5 mt -56.09 -49.68 73.14 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 124.968 1.307 . . . . 0.0 107.892 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.65 -39.24 93.27 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 121.56 -0.713 . . . . 0.0 111.274 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -27.83 69.49 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.353 0.524 . . . . 0.0 110.402 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.0 mt -77.08 15.02 0.76 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.216 1.006 . . . . 0.0 111.168 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.51 40.24 6.3 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 127.697 2.399 . . . . 0.0 111.851 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.3 mm -100.13 101.55 14.82 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 103.818 -2.66 . . . . 0.0 103.818 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -67.89 150.5 78.39 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.301 2.001 . . . . 0.0 111.249 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -48.8 -40.48 29.23 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.016 1.326 . . . . 0.0 114.439 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -55.16 -17.38 4.17 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.808 1.643 . . . . 0.0 113.421 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -124.61 -44.27 1.98 Allowed 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.844 1.658 . . . . 0.0 109.856 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.4 ttp85 -50.18 -43.86 52.61 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 126.349 1.859 . . . . 0.0 112.299 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -62.67 -32.98 74.14 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 119.103 -0.475 . . . . 0.0 111.481 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.8 -46.32 53.81 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.954 0.901 . . . . 0.0 111.564 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.608 HD13 ' HE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -59.69 -51.46 72.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 119.105 0.866 . . . . 0.0 108.986 179.403 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -60.85 -49.29 78.08 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 124.089 0.868 . . . . 0.0 110.803 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -64.05 -36.94 85.65 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 118.402 -0.809 . . . . 0.0 110.963 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.32 -50.36 67.33 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 119.787 1.176 . . . . 0.0 111.2 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.62 -44.8 59.95 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.419 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.89 -32.75 74.08 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.073 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -72.8 -38.06 67.34 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.477 0.581 . . . . 0.0 110.266 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -65.17 -56.61 11.87 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 124.523 1.129 . . . . 0.0 108.378 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -29.96 71.08 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.335 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -73.81 -30.86 62.95 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.286 0.948 . . . . 0.0 111.238 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.5 mt . . . . . 0 C--O 1.235 0.337 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -178.866 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.3 mm -48.04 -31.39 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.344 1.458 . . . . 0.0 111.509 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.5 m -48.96 -48.65 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 O-C-N 123.91 0.756 . . . . 0.0 112.044 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 t -67.32 -38.12 84.41 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.474 0.579 . . . . 0.0 110.952 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -64.27 -48.16 76.78 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.36 -0.837 . . . . 0.0 108.758 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -62.0 -41.0 97.58 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.929 1.692 . . . . 0.0 111.285 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.74 -50.36 73.49 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -59.27 -43.09 92.5 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-O 118.4 -0.81 . . . . 0.0 111.392 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.62 -40.24 96.33 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.956 0.798 . . . . 0.0 110.414 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.37 14.86 7.97 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 126.066 1.794 . . . . 0.0 111.577 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.2 m -62.71 165.87 6.06 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.193 1.497 . . . . 0.0 112.261 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.8 t -129.05 -110.21 0.27 Allowed 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.5 m -52.36 -21.94 4.1 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.238 1.415 . . . . 0.0 114.65 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.8 m -61.33 -34.94 76.08 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.044 -1.035 . . . . 0.0 109.688 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.94 -40.69 87.64 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.85 -49.69 75.25 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 126.778 2.031 . . . . 0.0 110.74 -178.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -60.7 -47.97 83.88 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -58.04 -49.95 75.12 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.296 2.9 t -65.04 -45.66 84.5 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.768 1.227 . . . . 0.0 111.518 -177.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.3 m -59.15 -38.84 80.69 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -75.35 -17.47 60.23 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.21 40.96 87.55 Favored Glycine 0 CA--C 1.527 0.807 0 O-C-N 121.149 -0.97 . . . . 0.0 111.518 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pp -129.79 19.07 5.61 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.465 1.106 . . . . 0.0 112.368 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.45 119.09 26.33 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 121.21 -0.931 . . . . 0.0 111.162 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.01 148.06 23.31 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.285 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.4 mm -78.92 -47.86 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 122.43 1.109 . . . . 0.0 109.597 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.07 -26.51 68.87 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.677 1.991 . . . . 0.0 112.816 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -81.24 -42.68 20.35 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 121.865 -0.522 . . . . 0.0 112.162 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.5 pt -60.69 -18.57 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 CA-C-N 118.608 0.64 . . . . 0.0 112.278 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -62.27 -26.36 68.36 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.947 0.794 . . . . 0.0 109.531 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -116.25 -22.16 8.99 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.69 1.196 . . . . 0.0 113.545 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -68.85 110.71 4.5 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.854 1.206 . . . . 0.0 109.193 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 m -77.13 177.87 7.49 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.718 0.77 . . . . 0.0 110.507 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -62.72 -22.87 66.84 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.247 0.619 . . . . 0.0 110.637 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -65.09 -50.22 66.98 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 126.481 1.912 . . . . 0.0 110.335 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.94 -43.36 88.28 Favored 'General case' 0 N--CA 1.461 0.114 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.9 mt -54.55 -51.82 63.99 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.62 -40.87 84.54 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.258 0.623 . . . . 0.0 110.871 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.89 -32.57 73.86 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 122.581 0.352 . . . . 0.0 110.392 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.6 mt -82.57 35.28 0.45 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.874 1.269 . . . . 0.0 111.526 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 tptp 63.78 2.46 1.32 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.111 2.164 . . . . 0.0 116.841 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.9 mm -67.69 122.89 85.37 Favored Pre-proline 0 CA--C 1.539 0.547 0 C-N-CA 124.38 1.072 . . . . 0.0 109.958 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -73.37 141.24 31.54 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.729 2.286 . . . . 0.0 106.26 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -57.35 -29.86 64.35 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 119.455 1.025 . . . . 0.0 113.188 -178.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -55.42 -30.31 60.23 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.778 1.231 . . . . 0.0 111.825 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -109.94 -31.14 7.5 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.211 1.404 . . . . 0.0 109.739 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -54.7 -34.97 63.11 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 120.572 1.533 . . . . 0.0 108.175 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -63.82 -28.55 69.94 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 123.871 0.868 . . . . 0.0 110.895 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.57 -56.73 5.83 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 120.351 1.432 . . . . 0.0 109.517 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.7 tt -60.1 -53.9 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 119.637 -0.22 . . . . 0.0 110.606 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -53.01 63.08 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 123.677 0.61 . . . . 0.0 111.505 -177.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -58.7 -38.46 78.32 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 119.463 1.029 . . . . 0.0 109.712 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.94 -50.27 69.48 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 119.64 1.109 . . . . 0.0 112.06 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -42.6 55.25 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 CA-C-O 118.564 -0.731 . . . . 0.0 112.143 -178.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.53 -33.74 74.33 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.59 -35.13 65.36 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -67.4 -57.12 7.16 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 123.094 0.558 . . . . 0.0 109.57 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -29.17 70.44 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.316 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -73.54 -41.46 62.96 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.897 1.226 . . . . 0.0 110.816 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.2 mt . . . . . 0 C--O 1.235 0.318 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -178.32 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.237 0.427 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.0 mm -58.58 -24.8 26.44 Favored 'Isoleucine or valine' 0 C--N 1.346 0.437 0 CA-C-O 117.337 -1.316 . . . . 0.0 111.592 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -50.45 -41.52 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 120.572 1.533 . . . . 0.0 111.049 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.0 t -73.07 -37.63 66.74 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -63.6 -49.87 71.64 Favored 'General case' 0 C--N 1.339 0.132 0 O-C-N 121.006 -1.059 . . . . 0.0 109.73 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.656 ' HE2' HD13 ' A' ' 58' ' ' ILE . 5.7 m-30 -61.12 -40.44 93.78 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 118.424 -0.798 . . . . 0.0 109.78 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.87 -47.79 84.77 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -64.26 -34.07 77.27 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 124.213 1.005 . . . . 0.0 112.532 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.5 mt -70.71 -50.94 30.94 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 178.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.08 -5.23 8.95 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 127.677 2.56 . . . . 0.0 111.493 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.2 m -60.8 104.4 0.35 Allowed 'General case' 0 C--N 1.342 0.262 0 C-N-CA 125.921 1.688 . . . . 0.0 110.603 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.54 -93.17 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.748 1.219 . . . . 0.0 113.364 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.4 m -56.22 -18.15 9.5 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 114.622 1.342 . . . . 0.0 114.622 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.2 m -62.97 -33.3 75.1 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.714 1.143 . . . . 0.0 109.669 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -38.06 75.97 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -58.67 -47.69 83.64 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 124.259 1.023 . . . . 0.0 109.462 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -61.97 -51.08 69.51 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -58.3 -45.42 88.01 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.6 t -67.19 -34.55 77.74 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.6 m -69.18 -25.21 64.23 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.524 -1.36 . . . . 0.0 110.405 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -87.57 -23.51 24.31 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.5 1.12 . . . . 0.0 111.082 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.5 39.89 86.74 Favored Glycine 0 C--N 1.342 0.915 0 C-N-CA 124.759 1.171 . . . . 0.0 113.633 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.45 29.08 1.79 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.803 1.641 . . . . 0.0 112.27 -178.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 t -88.04 118.17 27.41 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 120.873 -1.142 . . . . 0.0 110.643 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.528 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -158.54 149.8 20.76 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.017 -1.052 . . . . 0.0 111.849 179.643 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -79.08 -48.66 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 124.475 1.11 . . . . 0.0 110.822 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -60.25 -28.62 68.18 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 125.321 1.448 . . . . 0.0 112.062 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.528 ' HB2' HG23 ' A' ' 33' ' ' THR . 36.2 mt-30 -76.37 -49.66 16.24 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.248 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.509 ' CD1' HD11 ' A' ' 58' ' ' ILE . 46.7 pt -63.01 -19.9 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 119.027 0.83 . . . . 0.0 112.65 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.44 -25.83 68.18 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -115.05 -24.15 8.71 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.654 1.182 . . . . 0.0 113.316 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.411 ' HB2' ' HA ' ' A' ' 37' ' ' ILE . 3.4 m-85 -74.73 97.16 3.18 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.2 m -64.36 167.76 6.47 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.144 0.978 . . . . 0.0 111.294 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -53.94 -24.28 15.89 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -74.66 -40.16 61.6 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.659 1.183 . . . . 0.0 109.888 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.69 -42.65 77.52 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 178.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.6 mt -56.05 -51.45 67.77 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.66 -41.29 76.99 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.748 0.704 . . . . 0.0 111.215 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.1 t -58.74 -34.69 71.66 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.938 0.895 . . . . 0.0 111.713 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.5 mt -75.3 27.83 0.1 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.687 1.995 . . . . 0.0 114.509 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.44 33.56 13.59 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.643 1.577 . . . . 0.0 112.469 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 33.3 mm -101.19 133.94 20.65 Favored Pre-proline 0 CA--C 1.538 0.508 0 C-N-CA 125.073 1.349 . . . . 0.0 111.465 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -75.68 157.01 40.11 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.676 2.251 . . . . 0.0 107.966 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.3 -36.94 85.63 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 115.335 1.605 . . . . 0.0 115.335 -177.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -59.93 -53.09 61.98 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.575 1.079 . . . . 0.0 111.29 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -67.69 -42.9 81.34 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.09 -47.41 61.88 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 118.867 0.758 . . . . 0.0 109.302 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -63.26 -32.73 74.21 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 116.814 -1.565 . . . . 0.0 111.041 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.55 -52.57 44.19 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 120.748 1.613 . . . . 0.0 110.713 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.656 HD13 ' HE2' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -64.16 -53.02 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 O-C-N 122.033 -0.417 . . . . 0.0 109.971 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -43.06 85.92 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 123.561 0.538 . . . . 0.0 110.523 -178.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -62.17 -40.67 96.8 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-O 117.96 -1.019 . . . . 0.0 108.882 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.25 -51.32 57.4 Favored Glycine 0 C--O 1.226 -0.398 0 CA-C-N 119.22 0.918 . . . . 0.0 113.115 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.8 tp -66.29 -44.87 90.92 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.505 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.3 -31.34 71.93 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -73.95 -37.51 64.52 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.751 0.421 . . . . 0.0 110.209 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -65.9 -57.41 7.94 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.22 1.408 . . . . 0.0 107.207 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.54 -27.53 69.03 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 118.352 -0.832 . . . . 0.0 111.514 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -75.31 -31.05 60.53 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 120.515 1.507 . . . . 0.0 110.161 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.9 mt . . . . . 0 C--O 1.236 0.368 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -178.025 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 C--O 1.237 0.426 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.3 mt -50.29 -29.55 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.94 1.296 . . . . 0.0 111.328 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 m -50.83 -46.13 28.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 118.053 0.388 . . . . 0.0 110.935 178.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.5 t -66.23 -43.37 86.79 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.555 1.142 . . . . 0.0 109.457 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.548 ' CZ ' HD11 ' A' ' 17' ' ' LEU . 11.6 t80 -59.5 -45.86 90.48 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -63.78 -44.81 92.3 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 117.658 -1.163 . . . . 0.0 110.901 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.65 -33.53 70.2 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.457 1.026 . . . . 0.0 110.321 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -71.25 -50.45 32.69 Favored 'General case' 0 C--O 1.232 0.144 0 O-C-N 121.009 -1.057 . . . . 0.0 108.843 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.548 HD11 ' CZ ' ' A' ' 13' ' ' PHE . 60.6 mt -63.04 -34.85 78.45 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.478 0.711 . . . . 0.0 112.647 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.05 19.52 10.07 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 125.817 1.675 . . . . 0.0 109.661 -178.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 t -86.55 138.93 31.32 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 118.613 1.207 . . . . 0.0 109.989 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.83 -65.35 1.13 Allowed 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 125.102 1.361 . . . . 0.0 113.054 -178.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.33 -38.64 59.16 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -178.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -33.19 71.48 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 119.15 -1.02 . . . . 0.0 111.282 -178.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.0 -44.28 97.06 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.84 -42.32 97.55 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 123.787 0.679 . . . . 0.0 110.995 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -63.43 -54.45 36.32 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -55.91 -43.88 77.73 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.755 1.222 . . . . 0.0 113.832 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.5 p -68.91 -41.67 77.88 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.738 0.699 . . . . 0.0 110.503 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -33.92 76.93 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.281 0.946 . . . . 0.0 109.703 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -76.11 -18.32 59.21 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.702 0.683 . . . . 0.0 112.823 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.46 36.7 91.9 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 123.603 0.62 . . . . 0.0 112.733 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 pp -134.15 24.97 3.88 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.427 1.091 . . . . 0.0 112.974 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.05 119.07 25.03 Favored 'General case' 0 CA--C 1.519 -0.224 0 O-C-N 120.844 -1.16 . . . . 0.0 109.779 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.84 147.3 21.38 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.2 mm -79.09 -46.93 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 125.058 1.343 . . . . 0.0 109.975 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -58.59 -28.88 65.98 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.575 1.55 . . . . 0.0 110.943 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -82.68 -45.33 14.61 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.365 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.5 pt -60.87 -20.0 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-N 120.344 1.429 . . . . 0.0 111.478 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -60.81 -33.82 73.59 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.076 0.951 . . . . 0.0 108.693 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -113.15 -22.34 10.56 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 117.445 -1.264 . . . . 0.0 113.279 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -62.3 109.58 1.38 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 120.178 1.354 . . . . 0.0 109.516 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 m -74.25 173.31 10.36 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 122.145 0.974 . . . . 0.0 111.902 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.7 mmt -53.92 -36.97 63.32 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.224 1.41 . . . . 0.0 113.338 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.66 -43.04 97.9 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.457 0.703 . . . . 0.0 112.467 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -45.29 70.58 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.4 mt -57.1 -43.54 82.34 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.9 92.93 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.906 -0.496 . . . . 0.0 110.74 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -63.58 -31.38 72.52 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.358 0.663 . . . . 0.0 109.395 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.97 23.09 0.14 Allowed 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.742 -1.223 . . . . 0.0 110.684 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? 68.25 22.67 8.05 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.544 1.938 . . . . 0.0 112.29 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.5 mt -96.52 106.93 32.99 Favored Pre-proline 0 CA--C 1.548 0.896 0 O-C-N 120.5 -1.375 . . . . 0.0 109.446 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.84 147.4 74.81 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.331 2.688 . . . . 0.0 110.153 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -42.34 -45.15 4.17 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.349 1.86 . . . . 0.0 114.3 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -55.18 -35.82 65.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.963 1.305 . . . . 0.0 113.283 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -105.35 -31.27 9.13 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.982 0.513 . . . . 0.0 110.046 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -57.16 -40.13 76.63 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.049 -1.657 . . . . 0.0 108.506 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -66.47 -25.91 66.94 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.379 -0.826 . . . . 0.0 109.17 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.61 -56.45 8.19 Favored 'General case' 0 C--N 1.341 0.207 0 O-C-N 120.37 -1.456 . . . . 0.0 109.329 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.4 tt -56.07 -51.13 65.42 Favored 'Isoleucine or valine' 0 C--N 1.342 0.275 0 CA-C-N 118.824 0.738 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.62 -51.55 68.02 Favored 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 124.007 0.817 . . . . 0.0 110.82 -177.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -43.29 80.78 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 119.857 1.208 . . . . 0.0 109.403 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.37 -50.79 63.27 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-N 118.16 0.436 . . . . 0.0 113.196 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.5 tp -71.98 -37.33 60.49 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 118.935 -0.555 . . . . 0.0 111.845 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.32 -32.63 73.42 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.84 -38.24 70.15 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -63.91 -56.83 12.36 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 124.339 1.055 . . . . 0.0 109.058 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.12 -25.41 67.76 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 117.709 -1.139 . . . . 0.0 110.811 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -81.07 -23.09 38.72 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 120.224 1.374 . . . . 0.0 110.841 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.7 mt . . . . . 0 C--O 1.235 0.29 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -179.185 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.238 0.481 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.4 mm -50.17 -25.89 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 117.94 -1.029 . . . . 0.0 112.033 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.1 m -54.01 -51.57 44.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 119.125 0.875 . . . . 0.0 110.394 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.6 m -63.17 -42.79 99.46 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 124.357 1.063 . . . . 0.0 110.445 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -62.67 -47.03 85.43 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 121.069 0.461 . . . . 0.0 110.06 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -66.83 -36.75 83.07 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.372 1.069 . . . . 0.0 110.446 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.14 -41.96 84.86 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -70.74 -40.23 72.84 Favored 'General case' 0 C--N 1.345 0.409 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.6 mt -69.94 -25.29 63.59 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.548 0.739 . . . . 0.0 112.603 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.61 7.86 57.63 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 126.675 2.083 . . . . 0.0 110.033 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.4 m -70.12 111.08 5.52 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 117.659 0.73 . . . . 0.0 110.559 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.9 m -87.93 -92.09 0.11 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.006 1.722 . . . . 0.0 112.007 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 m -52.45 -29.72 26.06 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 120.386 1.448 . . . . 0.0 113.615 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.5 m -63.47 -33.47 75.65 Favored 'General case' 0 N--CA 1.444 -0.773 0 O-C-N 120.974 -1.079 . . . . 0.0 111.719 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.38 -40.98 77.08 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -57.19 -51.15 70.47 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.708 1.203 . . . . 0.0 108.908 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -55.49 -53.65 53.65 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -56.65 -44.56 81.43 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.3 p -56.96 -50.32 72.98 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 118.604 -0.712 . . . . 0.0 110.149 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.3 m -63.53 -37.89 89.03 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.273 1.029 . . . . 0.0 111.112 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -66.56 -20.68 66.07 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.7 39.68 95.42 Favored Glycine 0 C--N 1.339 0.706 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 pp -138.9 26.88 2.45 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.33 117.95 23.91 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.12 148.85 22.42 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 177.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.2 mm -78.95 -56.01 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 124.017 0.927 . . . . 0.0 112.933 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -65.31 -13.03 57.54 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 124.937 1.295 . . . . 0.0 114.104 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -85.67 -49.52 7.91 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 117.839 -1.077 . . . . 0.0 108.368 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.628 HG21 HD11 ' A' ' 58' ' ' ILE . 23.4 pt -61.73 -22.15 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 119.922 1.237 . . . . 0.0 110.8 178.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.8 -25.45 67.24 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.234 1.414 . . . . 0.0 109.79 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -113.03 -22.3 10.64 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.542 1.537 . . . . 0.0 111.73 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -78.27 94.32 4.78 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 m -67.82 -177.31 0.78 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.482 1.513 . . . . 0.0 110.827 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -46.77 40.11 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.165 1.386 . . . . 0.0 112.998 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -63.88 -35.54 80.99 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 118.899 -0.572 . . . . 0.0 112.48 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.87 -43.86 64.76 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 120.059 1.3 . . . . 0.0 109.723 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.8 mp -62.43 -44.99 95.11 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.49 -44.22 97.48 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.5 t -63.83 -24.7 67.85 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.386 1.074 . . . . 0.0 110.311 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.7 mt -80.99 12.97 2.94 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 119.917 -1.739 . . . . 0.0 109.775 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.18 12.74 8.89 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 128.73 2.812 . . . . 0.0 112.157 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.3 mm -76.35 122.44 86.74 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 123.751 0.82 . . . . 0.0 108.867 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.0 152.28 45.92 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.242 2.628 . . . . 0.0 109.432 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -30.66 68.77 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.208 -0.932 . . . . 0.0 113.033 -179.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -60.4 -13.41 13.2 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.804 1.642 . . . . 0.0 113.346 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -131.45 -39.66 1.14 Allowed 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.699 1.199 . . . . 0.0 110.38 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -33.7 61.06 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 119.844 1.202 . . . . 0.0 109.714 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -62.83 -39.37 94.13 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 119.033 -0.508 . . . . 0.0 111.213 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.76 -51.03 53.81 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 118.948 -0.548 . . . . 0.0 112.424 -177.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.628 HD11 HG21 ' A' ' 37' ' ' ILE . 2.2 tt -57.29 -51.01 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 O-C-N 123.776 0.673 . . . . 0.0 109.687 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -67.38 -53.16 31.75 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -56.21 -41.84 76.26 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 123.412 0.685 . . . . 0.0 109.37 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.97 -48.22 87.38 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 124.088 0.851 . . . . 0.0 112.299 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.3 tp -70.16 -44.36 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.74 0 CA-C-N 118.492 1.146 . . . . 0.0 110.313 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.13 -32.21 72.77 Favored 'General case' 0 C--O 1.219 -0.521 0 O-C-N 124.137 0.898 . . . . 0.0 109.156 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -71.63 -45.6 61.57 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -59.53 -56.44 21.88 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.973 1.709 . . . . 0.0 109.652 -178.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -31.51 72.77 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -77.26 -12.27 59.93 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 118.974 0.806 . . . . 0.0 110.831 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.9 mt . . . . . 0 CA--C 1.534 0.348 0 C-N-CA 125.127 1.371 . . . . 0.0 113.436 178.865 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.0 t . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.4 mt -52.81 -20.59 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 126.235 1.814 . . . . 0.0 112.063 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.5 m -50.07 -47.41 24.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 118.614 0.643 . . . . 0.0 111.555 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 t -71.81 -37.51 70.35 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -63.94 -49.59 71.98 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 121.359 0.599 . . . . 0.0 109.579 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -62.19 -40.73 97.04 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.403 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.82 -35.58 76.89 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 124.021 0.826 . . . . 0.0 109.555 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -76.8 -34.05 57.97 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.005 -1.06 . . . . 0.0 111.769 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.9 mt -71.05 -51.77 23.38 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.75 0.23 2.05 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.098 1.333 . . . . 0.0 112.258 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 159.88 23.71 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 119.638 1.719 . . . . 0.0 111.918 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.5 p -140.82 -87.11 0.18 Allowed 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.94 0.896 . . . . 0.0 109.505 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -54.14 -31.25 51.88 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.314 0.961 . . . . 0.0 112.483 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.5 m -69.01 -27.91 66.11 Favored 'General case' 0 C--N 1.341 0.221 0 O-C-N 120.928 -1.107 . . . . 0.0 111.796 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.06 -41.68 70.4 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 178.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -60.1 -34.72 73.88 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.082 1.353 . . . . 0.0 110.445 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -69.43 -53.93 16.89 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.49 -42.78 71.14 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 125.234 1.414 . . . . 0.0 113.522 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.7 p -67.48 -52.53 38.13 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.338 1.055 . . . . 0.0 109.592 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.8 m -63.99 -25.24 68.04 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 118.994 -0.527 . . . . 0.0 112.226 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -81.03 -7.06 59.48 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.059 0.944 . . . . 0.0 111.233 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 57.38 33.53 66.14 Favored Glycine 0 C--N 1.336 0.549 0 C-N-CA 126.612 2.053 . . . . 0.0 112.969 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 pp -128.26 20.63 6.27 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.678 1.191 . . . . 0.0 113.479 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -87.21 116.64 25.43 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 121.473 -0.767 . . . . 0.0 110.815 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -156.32 148.02 22.82 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.1 mm -79.3 -53.06 14.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 123.001 1.381 . . . . 0.0 110.783 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -57.21 -30.23 64.39 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 127.315 2.246 . . . . 0.0 111.809 -177.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -80.18 -47.96 13.89 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 117.948 -1.025 . . . . 0.0 109.688 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.8 pt -60.58 -31.3 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 120.426 1.466 . . . . 0.0 110.441 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -57.54 -39.76 77.32 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -94.25 -23.18 17.97 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -76.78 107.41 9.08 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.306 0.957 . . . . 0.0 109.004 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -69.57 172.76 6.87 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.079 0.466 . . . . 0.0 110.305 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.5 mtp -52.28 -37.04 54.42 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -67.44 -34.64 77.61 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.2 -36.37 82.9 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.0 mt -64.34 -41.2 96.9 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.68 92.66 Favored 'General case' 0 C--N 1.34 0.174 0 O-C-N 121.741 -0.599 . . . . 0.0 109.539 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 t -59.7 -39.98 86.39 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.9 mt -69.94 13.4 0.15 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.315 0.646 . . . . 0.0 111.757 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm 69.73 9.57 7.23 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 129.519 3.128 . . . . 0.0 113.53 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.6 mm -65.07 124.48 86.89 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 123.95 0.9 . . . . 0.0 110.665 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.85 135.79 36.49 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.853 2.369 . . . . 0.0 108.711 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.21 -29.84 15.42 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -178.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -52.42 63.61 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.391 0.996 . . . . 0.0 109.919 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -84.62 -43.49 14.38 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.222 1.009 . . . . 0.0 110.78 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -40.49 68.77 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 119.962 1.255 . . . . 0.0 111.326 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -68.26 -26.2 65.56 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.798 -0.564 . . . . 0.0 109.941 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.56 -49.83 24.38 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 120.385 -1.447 . . . . 0.0 110.646 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.68 -51.17 76.22 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -56.16 -52.65 63.6 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 124.559 1.162 . . . . 0.0 110.05 -178.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -54.08 -42.85 69.8 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.861 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.19 -50.79 61.75 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 118.6 0.636 . . . . 0.0 114.293 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.0 tp -71.09 -40.27 75.26 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.569 0 O-C-N 121.196 -1.179 . . . . 0.0 111.84 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.39 -33.8 74.28 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.45 -32.11 64.17 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.395 1.878 . . . . 0.0 111.43 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -66.51 -54.16 26.93 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.471 ' HG2' ' N ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -70.8 -35.48 72.57 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 118.861 -1.136 . . . . 0.0 110.292 179.763 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.471 ' N ' ' HG2' ' A' ' 66' ' ' ARG . 22.9 tt0 -56.72 -34.23 67.29 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.664 0.603 . . . . 0.0 110.53 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 116.794 -1.574 . . . . 0.0 113.636 179.704 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 C--O 1.239 0.521 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.495 HD11 ' CD1' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -51.8 -28.19 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 117.388 -1.291 . . . . 0.0 112.721 -179.166 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 m -51.43 -46.75 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 119.259 0.936 . . . . 0.0 110.93 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 t -62.66 -45.47 92.64 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 123.635 0.774 . . . . 0.0 109.292 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.445 ' HB3' HD13 ' A' ' 10' ' ' ILE . 49.1 t80 -66.4 -43.66 85.21 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.735 -178.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.494 ' CE2' HD12 ' A' ' 10' ' ' ILE . 3.8 m-30 -63.55 -39.95 95.74 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 120.937 -1.102 . . . . 0.0 111.37 -179.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.29 98.56 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -65.19 -38.11 89.45 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-O 118.818 -0.611 . . . . 0.0 111.104 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.2 mt -65.83 -34.16 77.52 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.779 0.718 . . . . 0.0 109.603 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.81 18.03 33.59 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 125.635 1.588 . . . . 0.0 109.173 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . 0.261 31.4 p -75.72 160.66 29.81 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 118.957 1.378 . . . . 0.0 110.845 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -124.57 -87.69 0.61 Allowed 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.907 -178.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.5 p -52.38 -28.62 20.38 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 120.397 1.453 . . . . 0.0 113.22 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.9 m -64.28 -41.42 96.9 Favored 'General case' 0 N--CA 1.442 -0.861 0 O-C-N 121.57 -0.706 . . . . 0.0 110.614 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.06 -37.53 81.4 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 117.082 -1.437 . . . . 0.0 108.671 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -61.73 -51.06 69.91 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 125.411 1.484 . . . . 0.0 110.194 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -59.36 -47.52 85.1 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -55.94 -52.82 62.79 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.8 t -64.47 -39.25 93.45 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 118.794 0.725 . . . . 0.0 110.988 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.6 m -64.11 -29.48 70.6 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 118.78 0.718 . . . . 0.0 109.931 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -84.62 -26.43 27.88 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.88 -1.137 . . . . 0.0 111.449 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.9 38.98 75.6 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 124.73 1.157 . . . . 0.0 112.72 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.25 26.3 5.44 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.64 1.576 . . . . 0.0 111.749 -179.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.8 119.03 24.84 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.52 147.53 22.05 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 177.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.3 mm -79.27 -52.54 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-O 122.782 1.277 . . . . 0.0 109.897 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -56.21 -30.55 62.46 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 126.536 1.934 . . . . 0.0 112.451 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -74.05 -50.29 20.37 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 117.798 -1.096 . . . . 0.0 110.853 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.495 ' CD1' HD11 ' A' ' 10' ' ' ILE . 39.8 pt -62.47 -19.62 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 119.921 1.237 . . . . 0.0 112.943 -179.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.96 -23.04 65.01 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -114.31 -23.56 9.35 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.839 1.255 . . . . 0.0 112.159 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -81.51 90.75 6.26 Favored 'General case' 0 C--N 1.34 0.176 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 178.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.0 m -70.58 176.79 3.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.631 0.772 . . . . 0.0 110.283 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.3 ptp -48.84 -27.19 2.85 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -69.66 -50.51 43.35 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 119.501 1.046 . . . . 0.0 111.159 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.56 -41.76 92.57 Favored 'General case' 0 CA--C 1.517 -0.292 0 O-C-N 121.499 -0.751 . . . . 0.0 109.367 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.19 -38.72 84.11 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.18 -50.73 71.95 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 t -59.01 -24.8 63.11 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 124.583 1.153 . . . . 0.0 112.233 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.2 mt -81.65 20.08 0.97 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.303 1.041 . . . . 0.0 111.401 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.44 23.94 14.13 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 127.669 2.388 . . . . 0.0 112.337 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.4 mm -84.7 115.58 61.36 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.42 149.06 62.1 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.984 1.789 . . . . 0.0 109.224 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -56.38 -30.65 62.97 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -55.48 -20.37 12.54 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 128.196 2.598 . . . . 0.0 112.214 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -126.0 -44.26 1.78 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.609 1.563 . . . . 0.0 108.711 178.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -47.3 -51.67 18.51 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.413 1.485 . . . . 0.0 112.79 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.94 -32.67 73.11 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.764 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.89 -52.36 44.23 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 119.809 1.186 . . . . 0.0 111.654 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -53.48 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.72 -45.72 81.71 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.051 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -58.82 -40.39 84.01 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.36 -50.9 62.15 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 124.267 0.936 . . . . 0.0 113.001 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.4 tt -73.69 -42.96 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.719 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.307 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.22 -32.51 68.37 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -73.72 -38.41 64.81 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.28 1.432 . . . . 0.0 111.026 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -67.84 -56.87 7.49 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -33.22 74.09 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 118.111 -0.947 . . . . 0.0 109.739 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -69.79 -34.1 73.27 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.993 1.27 . . . . 0.0 110.419 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.2 mt . . . . . 0 CA--C 1.533 0.29 0 C-N-CA 123.412 0.685 . . . . 0.0 112.753 -179.592 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 CA--C 1.542 0.663 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.9 mt -60.33 -21.48 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 124.915 1.286 . . . . 0.0 109.569 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.3 m -49.52 -48.33 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 119.318 0.963 . . . . 0.0 112.172 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.2 t -67.14 -38.59 85.77 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -62.34 -43.8 97.99 Favored 'General case' 0 C--N 1.342 0.257 0 O-C-N 121.546 -0.721 . . . . 0.0 109.246 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.487 ' CZ ' HD12 ' A' ' 58' ' ' ILE . 4.8 m-30 -62.86 -36.0 81.84 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 117.521 -1.228 . . . . 0.0 109.874 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.68 91.1 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -74.68 -36.23 62.79 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.811 -0.556 . . . . 0.0 111.549 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.4 mt -70.54 -41.47 72.46 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 121.717 -0.614 . . . . 0.0 111.14 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.2 5.62 21.22 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.982 1.753 . . . . 0.0 110.845 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.9 m -66.52 140.95 58.02 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.157 1.479 . . . . 0.0 108.283 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.4 p -118.9 -83.06 0.65 Allowed 'General case' 0 C--O 1.232 0.159 0 C-N-CA 123.551 0.74 . . . . 0.0 111.611 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.88 -27.78 60.97 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.105 1.362 . . . . 0.0 112.855 -179.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.1 m -71.58 -28.19 63.66 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 118.264 -0.874 . . . . 0.0 112.429 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.6 -41.5 79.48 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -59.64 -44.58 93.45 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.093 1.757 . . . . 0.0 108.962 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -59.53 -51.38 70.08 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -58.39 -50.24 74.39 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.766 1.226 . . . . 0.0 113.5 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.0 p -60.89 -39.71 90.31 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 118.903 0.774 . . . . 0.0 109.578 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.8 m -65.6 -36.79 84.76 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.926 -0.484 . . . . 0.0 109.828 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -75.39 -18.57 59.9 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.02 0.827 . . . . 0.0 112.761 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.43 37.8 86.17 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 123.944 0.783 . . . . 0.0 112.995 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.57 20.72 3.34 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -178.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.5 119.39 25.8 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 119.716 1.144 . . . . 0.0 109.349 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.94 147.06 22.37 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 mt -79.33 -54.37 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 123.512 1.625 . . . . 0.0 111.83 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -59.96 -16.77 32.88 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 127.513 2.325 . . . . 0.0 113.681 -177.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -90.39 -50.33 6.02 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 118.195 -0.907 . . . . 0.0 109.574 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.2 pt -60.72 -26.48 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 119.062 0.846 . . . . 0.0 111.631 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -57.49 -28.13 63.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.624 0.77 . . . . 0.0 110.41 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -114.7 -22.12 9.87 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.282 1.033 . . . . 0.0 112.945 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -73.9 105.83 5.34 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 120.05 1.295 . . . . 0.0 108.705 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 m -71.29 176.5 4.52 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.001 1.72 . . . . 0.0 113.048 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.2 mmt -55.67 -33.41 64.08 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.256 -0.902 . . . . 0.0 112.431 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -46.75 88.51 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 124.218 1.007 . . . . 0.0 109.791 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.51 -41.51 96.36 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 mt -61.97 -44.32 97.0 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.59 96.0 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.1 t -64.44 -38.24 90.34 Favored 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 122.309 -0.244 . . . . 0.0 110.517 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 mt -74.9 20.98 0.12 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.949 1.7 . . . . 0.0 111.931 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.1 tptm 66.15 9.68 6.48 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 126.727 2.011 . . . . 0.0 113.547 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.6 mm -75.5 120.25 80.81 Favored Pre-proline 0 CA--C 1.544 0.745 0 CA-C-N 119.644 1.111 . . . . 0.0 109.726 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -70.57 144.11 48.83 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.763 2.308 . . . . 0.0 109.724 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -51.12 -39.03 55.3 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.975 0.91 . . . . 0.0 113.353 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -55.09 -25.94 34.7 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.826 2.051 . . . . 0.0 113.205 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -119.46 -40.34 2.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.9 0.88 . . . . 0.0 110.69 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -52.86 -38.45 61.53 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 119.736 1.153 . . . . 0.0 110.338 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -62.87 -32.5 73.76 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 118.608 -0.711 . . . . 0.0 110.526 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.33 -51.0 33.38 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 120.013 1.279 . . . . 0.0 110.915 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.487 HD12 ' CZ ' ' A' ' 14' ' ' PHE . 1.9 tt -61.39 -52.9 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -58.17 -55.32 36.52 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 124.067 0.854 . . . . 0.0 112.283 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -55.81 -39.02 70.74 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.276 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.75 -50.88 62.91 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 124.069 0.842 . . . . 0.0 112.754 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.456 ' O ' ' HD2' ' A' ' 66' ' ' ARG . 10.9 tp -68.29 -43.09 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-N 118.127 0.964 . . . . 0.0 110.492 -178.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -59.59 -34.07 72.27 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.394 0.616 . . . . 0.0 109.556 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -73.64 -31.33 63.45 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 126.096 1.758 . . . . 0.0 111.03 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -67.71 -54.54 18.55 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.456 ' HD2' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -69.25 -31.22 69.62 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 116.85 -1.94 . . . . 0.0 110.764 178.766 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -54.4 -47.69 72.46 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.448 -0.564 0 CA-C-O 118.355 -0.831 . . . . 0.0 111.497 178.721 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.7 m . . . . . 0 C--O 1.238 0.471 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.506 HD11 HD13 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -52.27 -31.44 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 119.421 1.01 . . . . 0.0 112.731 -179.293 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 m -52.46 -49.25 44.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 124.095 0.872 . . . . 0.0 110.634 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.6 m -64.73 -41.74 95.72 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.354 0.662 . . . . 0.0 110.14 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -64.37 -43.99 92.76 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.585 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.432 ' CE2' HD12 ' A' ' 10' ' ' ILE . 3.5 m-30 -63.79 -37.18 86.4 Favored 'General case' 0 C--O 1.238 0.488 0 O-C-N 120.748 -1.22 . . . . 0.0 111.066 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.62 90.76 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -61.48 -40.07 93.22 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.639 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.68 -42.56 99.69 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.692 1.133 . . . . 0.0 109.898 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.88 21.81 10.76 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 125.992 1.758 . . . . 0.0 110.073 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 p -77.25 172.22 13.61 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.021 1.41 . . . . 0.0 111.606 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.9 p -135.12 -87.05 0.37 Allowed 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 124.02 0.928 . . . . 0.0 109.199 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 p -52.97 -29.09 26.91 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.132 1.373 . . . . 0.0 112.381 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.0 m -67.44 -38.38 84.42 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 121.343 -0.848 . . . . 0.0 110.673 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.46 -38.01 77.56 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 117.682 -1.151 . . . . 0.0 108.715 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.5 -50.67 73.01 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 126.659 1.984 . . . . 0.0 109.239 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -63.85 -47.09 82.12 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 118.525 -0.75 . . . . 0.0 109.528 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -54.81 -49.83 70.04 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.659 1.118 . . . . 0.0 111.586 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.0 t -62.25 -38.35 88.92 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.503 1.047 . . . . 0.0 110.003 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.5 m -65.06 -26.4 68.23 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.941 0.897 . . . . 0.0 110.331 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -89.87 -26.69 20.36 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.898 -1.126 . . . . 0.0 110.253 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.04 37.93 83.43 Favored Glycine 0 C--N 1.339 0.697 0 CA-C-N 118.987 0.812 . . . . 0.0 111.762 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 pp -132.16 25.42 4.55 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.628 1.171 . . . . 0.0 112.181 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.95 117.89 24.21 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 -178.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.404 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -157.62 148.59 21.31 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 121.717 -0.614 . . . . 0.0 109.467 178.015 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.9 mm -77.86 -54.72 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 121.81 0.814 . . . . 0.0 110.96 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -59.62 -12.8 7.4 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 128.077 2.551 . . . . 0.0 113.719 -177.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.404 ' HB2' HG23 ' A' ' 33' ' ' THR . 86.8 mm-40 -97.33 -42.69 7.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 118.096 -0.954 . . . . 0.0 112.244 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.506 HD13 HD11 ' A' ' 10' ' ' ILE . 27.4 pt -63.87 -14.92 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 120.29 1.404 . . . . 0.0 112.57 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -76.24 -25.73 55.31 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.445 0.566 . . . . 0.0 109.673 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -107.28 -22.51 12.57 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 124.167 0.987 . . . . 0.0 111.593 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -80.97 101.26 9.39 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 102.341 -3.207 . . . . 0.0 102.341 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 m -69.79 176.21 3.78 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.388 0.613 . . . . 0.0 112.054 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.7 mtt -52.01 -36.83 51.29 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -70.13 -32.31 70.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.296 0.953 . . . . 0.0 111.249 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.52 -42.48 78.45 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 178.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.33 -31.49 72.12 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.58 -47.88 81.87 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.2 m -59.44 -28.69 67.19 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.405 1.082 . . . . 0.0 111.717 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.9 mt -78.59 12.85 1.84 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.148 0.979 . . . . 0.0 111.473 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.1 48.7 10.26 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 125.953 1.701 . . . . 0.0 110.768 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.0 mm -107.67 118.28 53.56 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -67.64 142.33 58.12 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.307 2.004 . . . . 0.0 108.095 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -48.3 -39.31 21.32 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.179 1.392 . . . . 0.0 114.634 -178.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -54.98 -52.8 61.97 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 125.091 1.356 . . . . 0.0 111.27 -177.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -82.71 -40.1 21.06 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 118.582 -0.723 . . . . 0.0 109.727 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -48.84 -48.36 41.83 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 124.534 1.134 . . . . 0.0 110.404 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -62.91 -25.3 68.26 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 118.701 -0.666 . . . . 0.0 111.157 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.11 -56.45 5.09 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 120.73 1.604 . . . . 0.0 109.717 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.409 HD12 ' CZ ' ' A' ' 14' ' ' PHE . 1.2 tt -56.83 -54.32 31.09 Favored 'Isoleucine or valine' 0 C--N 1.338 0.1 0 C-N-CA 124.119 0.967 . . . . 0.0 109.862 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -51.28 70.12 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 123.689 0.618 . . . . 0.0 110.822 -177.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -41.21 79.06 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.784 178.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.11 -50.75 64.51 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 124.344 0.974 . . . . 0.0 113.422 -178.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 5.9 tp -73.82 -38.99 51.71 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 CA-C-N 118.471 1.135 . . . . 0.0 112.187 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.95 -32.98 74.7 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -72.72 -39.37 67.0 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.455 1.102 . . . . 0.0 110.631 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -62.13 -55.43 28.92 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.123 1.369 . . . . 0.0 107.852 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -30.79 71.37 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.67 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -71.6 -20.91 61.92 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 117.975 -1.012 . . . . 0.0 113.274 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.0 mt . . . . . 0 N--CA 1.463 0.202 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -179.381 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.24 0.571 0 N-CA-C 104.144 -2.539 . . . . 0.0 104.144 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.8 mt -55.59 -23.82 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-O 118.508 -0.758 . . . . 0.0 111.524 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.1 m -49.85 -48.19 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 119.201 0.91 . . . . 0.0 111.042 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.2 m -65.49 -44.28 87.57 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 124.488 1.115 . . . . 0.0 110.793 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -62.22 -47.72 83.17 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.387 0.613 . . . . 0.0 109.443 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.506 ' HE2' HD13 ' A' ' 58' ' ' ILE . 3.7 m-30 -60.53 -44.9 95.56 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 125.489 1.516 . . . . 0.0 111.076 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.61 -43.61 80.34 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.8 mtp-105 -65.35 -44.9 86.24 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-O 118.444 -0.788 . . . . 0.0 110.431 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.2 mt -62.71 -26.35 68.63 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.982 0.81 . . . . 0.0 110.973 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.36 5.98 45.27 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 125.762 1.649 . . . . 0.0 110.276 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.3 m -68.02 148.26 51.27 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.733 -0.863 . . . . 0.0 109.462 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.5 m -129.87 -87.34 0.52 Allowed 'General case' 0 C--O 1.226 -0.178 0 CA-C-O 117.087 -1.435 . . . . 0.0 110.06 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.9 m -53.23 -28.18 25.94 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 121.276 1.853 . . . . 0.0 114.421 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.6 t -65.55 -33.95 77.11 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.0 0.818 . . . . 0.0 110.147 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -40.58 87.77 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 117.086 -1.435 . . . . 0.0 107.498 179.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -62.79 -40.91 98.79 Favored 'General case' 0 C--O 1.232 0.176 0 O-C-N 124.778 1.299 . . . . 0.0 111.721 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -64.54 -48.68 74.18 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -58.03 -44.56 87.42 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.0 p -66.76 -44.67 80.78 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 123.725 0.81 . . . . 0.0 110.734 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.11 -32.78 74.43 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 118.807 0.73 . . . . 0.0 110.455 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -74.42 -16.77 60.86 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 122.031 -0.418 . . . . 0.0 110.328 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 59.38 39.99 95.49 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 127.666 2.555 . . . . 0.0 113.153 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.8 22.25 5.0 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 124.729 1.212 . . . . 0.0 113.288 -178.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 t -85.81 118.55 25.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.363 0.601 . . . . 0.0 109.401 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.98 146.94 22.21 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.1 mm -79.8 -47.46 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-O 122.429 1.109 . . . . 0.0 110.106 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -57.88 -16.24 11.24 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 129.312 3.045 . . . . 0.0 111.815 -177.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -97.67 -46.36 6.03 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.686 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.5 pt -60.92 -21.55 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 120.429 1.468 . . . . 0.0 112.84 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.58 -27.82 65.44 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.944 1.247 . . . . 0.0 110.129 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -109.0 -23.27 11.77 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 117.949 -1.024 . . . . 0.0 113.674 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -66.26 125.45 25.61 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 119.77 1.168 . . . . 0.0 108.969 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.9 m -93.97 177.05 6.11 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.485 0.66 . . . . 0.0 109.867 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -49.29 -28.02 4.39 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 116.128 1.899 . . . . 0.0 116.128 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.1 -50.28 64.61 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 119.062 0.846 . . . . 0.0 111.086 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.24 -39.97 94.61 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.584 -179.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.0 mt -59.99 -51.18 70.77 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.13 87.28 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.1 t -56.43 -39.27 72.82 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.331 1.452 . . . . 0.0 111.107 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.5 mt -83.79 22.81 1.07 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.968 1.707 . . . . 0.0 113.132 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? 66.93 27.65 8.85 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.998 1.719 . . . . 0.0 113.472 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.4 mm -104.66 91.07 3.84 Favored Pre-proline 0 CA--C 1.545 0.755 0 N-CA-C 105.176 -2.157 . . . . 0.0 105.176 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -76.06 163.07 33.6 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.553 2.168 . . . . 0.0 111.892 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -50.42 -26.76 5.37 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.274 1.43 . . . . 0.0 113.985 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -54.77 -30.94 58.01 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.848 1.659 . . . . 0.0 110.496 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -128.42 -36.28 1.9 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.076 1.351 . . . . 0.0 112.172 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.29 -38.88 28.83 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 126.947 2.099 . . . . 0.0 114.556 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -68.8 -31.04 69.75 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 117.869 -1.063 . . . . 0.0 109.976 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.4 -49.61 32.53 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.625 0.77 . . . . 0.0 111.099 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.506 HD13 ' HE2' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -59.94 -52.45 60.97 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -59.76 -47.28 86.32 Favored 'General case' 0 N--CA 1.441 -0.91 0 O-C-N 123.858 0.723 . . . . 0.0 111.022 -177.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -59.94 -39.74 86.57 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 117.424 -1.274 . . . . 0.0 109.754 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.83 -51.98 51.67 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 119.033 0.833 . . . . 0.0 114.428 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.7 tp -69.63 -37.67 74.77 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 O-C-N 121.499 -1.001 . . . . 0.0 111.886 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.432 ' CD1' ' HE ' ' A' ' 66' ' ' ARG . 3.8 mm? -65.42 -31.72 72.96 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 178.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -39.52 75.13 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 118.315 0.507 . . . . 0.0 111.439 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -61.18 -53.17 60.31 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.432 ' HE ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -70.0 -23.14 63.1 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 119.122 -1.031 . . . . 0.0 111.174 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -79.86 -18.14 51.46 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.116 0.871 . . . . 0.0 110.1 179.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.1 mt . . . . . 0 CA--C 1.534 0.331 0 C-N-CA 124.646 1.178 . . . . 0.0 113.722 -179.362 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.238 0.478 0 N-CA-C 105.044 -2.206 . . . . 0.0 105.044 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.512 HD13 ' HB3' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -58.68 -18.76 13.23 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.111 0 C-N-CA 124.258 1.023 . . . . 0.0 110.768 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.2 m -51.53 -49.0 34.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 119.254 0.933 . . . . 0.0 110.849 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.4 m -63.74 -41.47 98.02 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.823 1.249 . . . . 0.0 110.595 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.512 ' HB3' HD13 ' A' ' 10' ' ' ILE . 56.5 t80 -65.41 -49.55 68.8 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.988 -178.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.454 ' CE2' HD12 ' A' ' 10' ' ' ILE . 8.1 m-30 -59.67 -39.82 85.75 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.008 0.923 . . . . 0.0 110.546 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.92 -44.78 87.07 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -66.31 -43.03 87.38 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.913 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.9 mt -62.19 -26.58 68.43 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 118.714 0.688 . . . . 0.0 110.904 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.94 7.97 60.81 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 125.345 1.45 . . . . 0.0 110.287 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.7 p -84.44 132.25 34.58 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-O 118.969 -0.539 . . . . 0.0 109.885 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.553 ' HA ' HD23 ' A' ' 23' ' ' LEU . 17.2 m -122.14 -48.59 2.1 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 117.418 -1.277 . . . . 0.0 113.225 -179.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -57.37 -36.78 71.67 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 120.862 1.665 . . . . 0.0 110.354 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.7 m -69.98 -34.57 73.52 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.708 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' A' ' 20' ' ' SER . 0.3 OUTLIER -66.74 -40.45 88.35 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.53 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -59.47 -51.06 71.49 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 124.511 1.124 . . . . 0.0 109.083 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -62.93 -49.42 74.83 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -59.46 -45.16 92.4 Favored 'General case' 0 C--O 1.236 0.375 0 O-C-N 120.93 -1.107 . . . . 0.0 113.068 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.1 p -64.21 -45.27 89.0 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.2 m -62.31 -41.78 98.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 118.259 -0.876 . . . . 0.0 109.775 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -66.72 -27.59 67.75 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 120.349 1.431 . . . . 0.0 109.326 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.16 31.49 54.98 Favored Glycine 0 C--N 1.34 0.773 0 C-N-CA 124.319 0.961 . . . . 0.0 112.889 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.82 27.5 6.01 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.842 1.257 . . . . 0.0 113.243 -177.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.81 118.29 26.11 Favored 'General case' 0 C--O 1.236 0.389 0 O-C-N 121.13 -0.981 . . . . 0.0 109.612 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.446 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -156.36 149.02 23.76 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.05 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mt -80.41 -53.56 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-O 122.478 1.132 . . . . 0.0 111.617 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -57.7 -30.74 65.75 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 125.441 1.496 . . . . 0.0 112.246 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.446 ' HB2' HG23 ' A' ' 33' ' ' THR . 43.1 mm-40 -72.85 -52.14 16.02 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 118.645 -0.693 . . . . 0.0 109.703 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.511 ' CD1' HD11 ' A' ' 10' ' ' ILE . 47.4 pt -63.9 -16.51 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 119.244 0.929 . . . . 0.0 112.555 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -66.89 -27.59 67.63 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -114.21 -22.92 9.72 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-O 117.475 -1.25 . . . . 0.0 112.835 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -71.12 105.51 3.41 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 104.288 -2.486 . . . . 0.0 104.288 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 m -69.85 175.07 4.58 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 122.192 0.996 . . . . 0.0 112.114 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -50.91 -31.77 18.6 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.1 1.36 . . . . 0.0 113.593 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -71.55 -50.44 31.12 Favored 'General case' 0 CA--C 1.526 0.057 0 C-N-CA 125.392 1.477 . . . . 0.0 111.238 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -38.84 85.59 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 mp -58.96 -51.57 69.51 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.24 91.21 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.146 0.43 . . . . 0.0 110.811 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.4 t -61.49 -36.0 79.27 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.632 1.573 . . . . 0.0 111.583 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 mt -75.91 27.15 0.11 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.42 1.888 . . . . 0.0 111.829 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp 69.13 -2.75 1.71 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 128.768 2.827 . . . . 0.0 113.278 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.2 mm -65.51 125.1 88.96 Favored Pre-proline 0 CA--C 1.538 0.507 0 O-C-N 121.246 -0.909 . . . . 0.0 111.012 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -69.3 145.24 59.16 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.097 1.865 . . . . 0.0 108.935 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -51.7 -39.98 59.32 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -178.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -62.03 -44.58 96.4 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -82.02 -43.98 17.25 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 118.876 -0.583 . . . . 0.0 109.472 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -38.69 60.27 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.114 0.87 . . . . 0.0 110.298 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -63.24 -38.0 89.44 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.432 0.693 . . . . 0.0 110.442 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.93 -51.37 62.24 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 119.274 0.943 . . . . 0.0 111.105 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.0 tt -61.46 -53.91 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -58.18 -57.26 13.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.075 0.859 . . . . 0.0 110.761 -178.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -57.23 -37.09 71.75 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 119.06 0.845 . . . . 0.0 110.269 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.19 -50.96 61.94 Favored Glycine 0 CA--C 1.524 0.654 0 CA-C-N 118.856 0.753 . . . . 0.0 111.798 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.6 tt -71.86 -40.67 69.12 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.658 0 CA-C-N 118.342 1.071 . . . . 0.0 111.7 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.1 -35.22 73.05 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -73.92 -37.93 64.46 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.807 0.813 . . . . 0.0 111.208 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -63.59 -55.29 24.84 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -30.03 70.96 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 118.887 -0.578 . . . . 0.0 110.045 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -72.8 -21.66 60.95 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.448 1.022 . . . . 0.0 111.978 178.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.5 mt . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -179.398 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--O 1.235 0.313 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 32' ' ' THR . 74.6 mt -49.26 -27.62 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 C-N-CA 125.46 1.504 . . . . 0.0 112.129 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 m -49.34 -47.05 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 119.454 1.025 . . . . 0.0 112.618 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 t -69.35 -41.14 76.99 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.423 0.63 . . . . 0.0 110.171 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -62.85 -46.84 86.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.467 0.651 . . . . 0.0 109.874 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -62.16 -37.5 85.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.965 1.306 . . . . 0.0 110.616 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.58 -45.81 88.28 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -62.65 -41.91 99.31 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 118.552 -0.737 . . . . 0.0 111.234 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.2 mt -62.91 -45.69 91.32 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.381 0.991 . . . . 0.0 109.829 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.04 30.88 5.85 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 125.168 1.366 . . . . 0.0 110.427 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.6 p -78.85 168.99 18.92 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.243 1.022 . . . . 0.0 109.262 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.3 m -133.32 -66.64 0.65 Allowed 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.196 0.453 . . . . 0.0 111.276 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.6 m -65.88 -32.9 74.68 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.252 0.549 . . . . 0.0 111.996 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.4 m -64.3 -42.28 96.46 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.059 0.944 . . . . 0.0 112.669 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -35.96 81.25 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 124.522 1.139 . . . . 0.0 110.136 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -63.43 -49.43 73.72 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -56.68 -54.38 46.76 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.942 0.776 . . . . 0.0 109.946 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -54.92 -52.03 64.2 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.1 p -61.17 -51.11 70.42 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.802 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.2 m -62.93 -36.17 82.53 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.306 0.957 . . . . 0.0 111.057 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -69.78 -17.69 63.44 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.19 0.904 . . . . 0.0 111.058 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.85 33.91 85.56 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 125.915 1.721 . . . . 0.0 112.984 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.74 21.67 8.33 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.037 1.335 . . . . 0.0 113.38 -177.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.437 ' HA ' HD12 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -84.8 119.21 25.05 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 121.442 -0.786 . . . . 0.0 108.904 -179.675 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -155.96 146.77 22.09 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 176.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.5 mm -79.44 -50.18 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-O 123.087 1.422 . . . . 0.0 111.326 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -60.1 -30.43 69.25 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.333 1.453 . . . . 0.0 111.531 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -76.2 -43.72 41.09 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 118.292 -0.861 . . . . 0.0 109.63 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.5 pt -64.92 -18.64 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 119.918 1.236 . . . . 0.0 111.999 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -72.38 -18.85 61.7 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -114.87 -24.56 8.6 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.308 0.958 . . . . 0.0 110.708 178.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -74.88 99.03 3.68 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.6 p -72.09 177.84 4.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.801 1.24 . . . . 0.0 112.682 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.8 ptm -53.01 -27.33 18.86 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.139 0.976 . . . . 0.0 113.552 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -75.9 -50.41 15.11 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.228 1.011 . . . . 0.0 111.024 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -34.24 77.28 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.6 mt -68.83 -49.06 61.62 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.58 -38.29 77.58 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.9 t -61.0 -39.46 89.79 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.441 1.496 . . . . 0.0 108.66 178.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.6 mt -71.57 13.01 0.28 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.506 1.522 . . . . 0.0 112.386 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? 73.76 8.54 4.91 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 129.083 2.953 . . . . 0.0 112.16 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.409 HG22 ' HB2' ' A' ' 55' ' ' ARG . 38.6 mm -70.39 114.34 25.25 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -67.26 145.04 70.85 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 121.388 1.392 . . . . 0.0 108.795 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -51.61 -35.11 40.3 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -58.18 -52.83 63.91 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.26 1.024 . . . . 0.0 109.653 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -76.96 -41.43 43.18 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.547 0.739 . . . . 0.0 110.147 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.409 ' HB2' HG22 ' A' ' 50' ' ' ILE . 8.0 tmm_? -48.15 -46.49 34.59 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.623 1.969 . . . . 0.0 111.15 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -62.38 -38.37 89.31 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.265 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.84 -50.04 72.51 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.903 1.229 . . . . 0.0 112.421 -178.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.0 tt -63.2 -54.17 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.648 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -62.3 -51.08 69.1 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 123.685 0.616 . . . . 0.0 112.347 -177.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -58.45 -41.52 85.31 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 117.993 -1.004 . . . . 0.0 109.363 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.04 -50.43 65.48 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 118.701 0.682 . . . . 0.0 112.169 -177.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.59 -42.64 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 CA-C-N 118.19 0.995 . . . . 0.0 111.677 -178.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.4 -34.95 79.11 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 118.937 -1.105 . . . . 0.0 108.674 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -72.04 -38.38 69.52 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.812 -0.555 . . . . 0.0 111.16 -178.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -66.38 -55.99 13.23 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 127.274 2.23 . . . . 0.0 109.193 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -31.05 72.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -75.02 -29.71 60.9 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 118.737 -1.185 . . . . 0.0 111.724 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.8 mt . . . . . 0 N--CA 1.469 0.482 0 CA-C-N 119.976 1.262 . . . . 0.0 113.494 -179.696 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.8 m . . . . . 0 C--O 1.235 0.319 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.54 HD13 ' HB3' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -54.31 -25.52 13.9 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 CA-C-O 117.253 -1.356 . . . . 0.0 113.349 -178.771 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 m -56.06 -45.6 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 120.051 1.296 . . . . 0.0 110.244 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 t -67.5 -41.08 85.05 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.285 0.634 . . . . 0.0 109.68 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.54 ' HB3' HD13 ' A' ' 10' ' ' ILE . 60.2 t80 -62.46 -48.14 80.95 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.566 ' HE2' HD13 ' A' ' 58' ' ' ILE . 5.7 m-30 -60.71 -39.04 87.09 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 117.853 -1.07 . . . . 0.0 110.715 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.9 -37.43 84.59 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 118.533 0.606 . . . . 0.0 109.626 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.6 mtm105 -75.3 -38.08 60.49 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.046 0.384 . . . . 0.0 110.379 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.7 mt -64.01 -41.15 97.55 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.3 6.3 20.28 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 125.928 1.728 . . . . 0.0 111.756 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.2 m -59.4 158.7 9.04 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.037 1.419 . . . . 0.0 111.018 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.0 t -133.06 -90.1 0.4 Allowed 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.85 -32.42 44.57 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.172 1.789 . . . . 0.0 113.102 -178.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.5 m -68.49 -26.85 65.67 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.25 -0.906 . . . . 0.0 111.824 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.83 -43.1 76.19 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.65 -45.61 88.95 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 126.105 1.762 . . . . 0.0 110.512 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -61.47 -53.99 49.26 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.72 -49.26 73.52 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.3 p -64.52 -39.02 93.01 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.036 0.934 . . . . 0.0 111.144 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.9 m -67.73 -37.39 82.12 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -74.58 -20.02 60.09 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.761 0.71 . . . . 0.0 110.24 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.69 35.33 91.88 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 127.132 2.301 . . . . 0.0 113.861 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.87 18.76 10.18 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.527 1.531 . . . . 0.0 113.248 -178.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.17 119.32 24.87 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.53 149.38 25.39 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.2 mt -79.14 -56.04 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 122.543 1.163 . . . . 0.0 112.634 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -62.59 -25.97 68.36 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 125.964 1.705 . . . . 0.0 113.611 -177.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -76.47 -53.75 7.68 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.525 HD12 HD11 ' A' ' 58' ' ' ILE . 24.5 pt -62.95 -14.26 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 118.788 0.722 . . . . 0.0 112.629 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -76.4 -20.11 57.46 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.993 0.917 . . . . 0.0 109.8 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -115.07 -23.06 9.21 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.823 1.649 . . . . 0.0 111.382 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -79.11 100.77 7.54 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 103.546 -2.761 . . . . 0.0 103.546 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.3 m -64.18 175.05 1.36 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.527 1.131 . . . . 0.0 112.183 -179.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 60.9 mtm -59.91 -28.75 67.86 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 120.883 -1.136 . . . . 0.0 110.74 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.15 -43.16 99.32 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.703 0.801 . . . . 0.0 109.288 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.15 -51.57 63.21 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 124.108 0.963 . . . . 0.0 109.024 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.7 mt -55.93 -45.73 78.67 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 123.786 0.834 . . . . 0.0 110.614 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.53 98.79 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 t -64.27 -29.08 70.18 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.591 -0.693 . . . . 0.0 110.51 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 mt -80.97 13.1 2.87 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.829 2.052 . . . . 0.0 111.35 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? 68.1 16.37 9.46 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 127.098 2.159 . . . . 0.0 112.675 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.9 mm -73.39 122.34 87.38 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -66.54 135.36 38.82 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.324 2.682 . . . . 0.0 110.893 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -41.22 -45.82 2.97 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.367 1.867 . . . . 0.0 115.149 -177.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -55.66 -51.39 67.42 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.97 0.908 . . . . 0.0 112.613 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -81.62 -43.9 17.97 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.12 0.968 . . . . 0.0 109.641 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.8 tmm_? -48.14 -53.43 16.75 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 126.756 2.022 . . . . 0.0 109.93 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -65.39 -30.67 71.51 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.318 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.81 -51.45 55.46 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 119.751 1.16 . . . . 0.0 111.485 -179.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.566 HD13 ' HE2' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -63.13 -52.36 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.849 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -55.97 -50.9 69.51 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 110.183 -178.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -57.15 -39.41 75.18 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 117.432 -1.271 . . . . 0.0 109.241 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.81 -51.18 59.02 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-N 119.692 1.133 . . . . 0.0 114.459 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.3 tt -70.79 -41.35 77.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-N 118.733 1.267 . . . . 0.0 110.552 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.68 -35.49 74.56 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.35 -31.52 64.01 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 125.616 1.566 . . . . 0.0 111.293 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -67.2 -50.22 61.72 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -69.07 -37.26 78.4 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 117.915 -1.514 . . . . 0.0 108.917 179.385 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.449 ' N ' ' HG2' ' A' ' 66' ' ' ARG . 22.7 tp60 -67.34 -19.7 65.48 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 124.266 0.979 . . . . 0.0 111.86 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.531 0.24 0 CA-C-N 119.662 1.119 . . . . 0.0 108.607 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.7 m . . . . . 0 C--O 1.237 0.409 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.501 HD11 ' CD1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -58.63 -28.43 36.85 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.333 178.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 m -52.92 -43.08 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 CA-C-N 118.922 0.783 . . . . 0.0 111.084 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -64.08 -41.28 97.37 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.856 0.462 . . . . 0.0 109.837 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -68.45 -48.81 63.58 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -60.04 -39.74 86.95 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 121.1 -1.0 . . . . 0.0 109.458 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.51 -38.18 88.94 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -64.23 -45.1 89.69 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.379 0.991 . . . . 0.0 108.48 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.2 mt -66.18 -23.98 66.55 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.059 0.845 . . . . 0.0 111.125 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.22 38.67 7.69 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 108.393 -1.883 . . . . 0.0 108.393 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.1 m -73.47 161.02 30.86 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.083 0.942 . . . . 0.0 110.761 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.4 t -127.8 -101.38 0.34 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 m -52.57 -29.92 28.1 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.56 1.544 . . . . 0.0 114.052 -178.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.3 m -62.58 -36.04 81.42 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.07 0.395 . . . . 0.0 111.071 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -38.82 82.19 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.091 0.956 . . . . 0.0 108.881 -179.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -63.85 -50.84 67.26 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.904 1.682 . . . . 0.0 108.803 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -56.88 -48.81 77.3 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.565 0.62 . . . . 0.0 109.479 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.29 -45.4 91.36 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.5 t -72.02 -34.53 68.91 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 118.307 0.503 . . . . 0.0 110.533 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.4 -36.95 84.14 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.378 0.99 . . . . 0.0 109.197 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -76.82 -27.19 55.09 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 118.774 -0.631 . . . . 0.0 111.952 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.02 37.85 49.12 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 123.89 0.757 . . . . 0.0 112.69 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.67 28.67 2.67 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.895 1.278 . . . . 0.0 112.457 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . 0.273 3.6 t -84.8 116.68 23.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 120.914 -1.116 . . . . 0.0 109.98 -177.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.484 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -157.09 147.73 21.43 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 121.398 -0.813 . . . . 0.0 111.408 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 mt -79.91 -51.52 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 122.62 1.2 . . . . 0.0 109.761 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -56.67 -27.35 58.53 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 126.676 1.99 . . . . 0.0 111.953 -177.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.484 ' HB2' HG23 ' A' ' 33' ' ' THR . 19.4 mm100 -82.18 -51.14 8.25 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 117.71 -1.138 . . . . 0.0 110.459 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.501 ' CD1' HD11 ' A' ' 10' ' ' ILE . 44.7 pt -60.72 -23.31 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 119.592 1.087 . . . . 0.0 110.831 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.03 -29.81 65.63 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.434 1.094 . . . . 0.0 109.252 178.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -114.73 -23.11 9.36 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.999 0.919 . . . . 0.0 112.637 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.441 ' HB2' ' HA ' ' A' ' 37' ' ' ILE . 8.6 m-85 -73.74 105.7 5.16 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 105.669 -1.974 . . . . 0.0 105.669 177.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 m -74.05 177.29 5.79 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.445 -0.785 . . . . 0.0 109.744 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -51.5 -22.23 3.0 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -68.6 -48.37 64.32 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.941 1.246 . . . . 0.0 109.626 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -46.15 89.08 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.7 mp -56.95 -43.24 81.35 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.86 -48.3 81.16 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.694 -1.254 . . . . 0.0 109.915 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.0 m -65.48 -20.55 66.4 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.394 -0.816 . . . . 0.0 112.258 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.1 mt -89.16 15.8 8.25 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.253 1.421 . . . . 0.0 111.592 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 71.11 25.65 3.63 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 127.139 2.176 . . . . 0.0 112.401 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.8 mm -100.12 98.65 7.91 Favored Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 105.606 -1.998 . . . . 0.0 105.606 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.55 158.18 44.09 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.173 2.582 . . . . 0.0 110.888 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -37.39 12.08 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.031 1.333 . . . . 0.0 113.438 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -54.53 -24.25 19.97 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.852 2.061 . . . . 0.0 113.322 -178.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -127.83 -40.65 1.7 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.337 1.055 . . . . 0.0 109.989 178.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -47.33 -40.72 17.81 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 126.638 1.975 . . . . 0.0 111.658 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -64.16 -31.4 72.58 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 117.496 -1.24 . . . . 0.0 110.767 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.16 -48.85 31.88 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 120.049 1.295 . . . . 0.0 111.479 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 tt -60.66 -52.84 56.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -62.62 -56.13 20.65 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 123.725 0.641 . . . . 0.0 110.557 -177.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -57.87 -40.54 80.44 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 118.465 -0.779 . . . . 0.0 110.847 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.3 -49.25 80.67 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 119.329 0.968 . . . . 0.0 112.971 -178.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.76 -41.03 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 122.062 -0.669 . . . . 0.0 109.275 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.22 -32.59 73.28 Favored 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -72.03 -37.17 69.78 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.31 1.044 . . . . 0.0 109.458 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -67.36 -56.98 7.48 Favored 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 125.025 1.33 . . . . 0.0 109.347 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.62 -31.48 72.33 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 123.594 0.559 . . . . 0.0 110.491 -179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -72.1 -38.66 69.29 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 118.536 0.607 . . . . 0.0 110.276 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 C--O 1.236 0.357 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -178.657 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.477 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.98 169.35 13.56 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 122.841 2.361 . . . . 0.0 109.602 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.9 tp -134.65 75.56 1.59 Allowed 'General case' 0 C--O 1.237 0.414 0 CA-C-O 122.301 1.048 . . . . 0.0 110.119 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.99 -77.21 2.07 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 107.82 -2.112 . . . . 0.0 107.82 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -75.99 165.02 25.57 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.213 1.005 . . . . 0.0 109.11 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.6 m -155.99 -37.13 0.08 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.887 0.875 . . . . 0.0 110.052 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -154.74 123.18 6.04 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 83.6 m -122.42 93.46 3.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 119.809 1.186 . . . . 0.0 112.506 -178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.3 m -142.77 173.91 11.12 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.803 1.241 . . . . 0.0 108.261 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.42 HG22 ' CD2' ' A' ' 14' ' ' PHE . 25.3 mt -60.74 -23.09 27.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 123.96 0.904 . . . . 0.0 109.875 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.2 m -48.54 -52.5 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 119.184 0.902 . . . . 0.0 110.836 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.4 t -65.28 -34.74 79.07 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 122.293 1.044 . . . . 0.0 111.494 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -69.23 -38.49 78.54 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 122.876 1.322 . . . . 0.0 110.597 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.42 ' CD2' HG22 ' A' ' 10' ' ' ILE . 3.6 m-30 -72.68 -38.72 67.51 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 120.316 -1.49 . . . . 0.0 108.762 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.0 -50.2 71.53 Favored 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 124.198 0.936 . . . . 0.0 108.5 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -63.25 -47.93 80.37 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.8 mt -61.66 -32.75 72.94 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.347 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.67 4.32 34.42 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 125.286 1.422 . . . . 0.0 109.898 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.6 m -66.78 127.27 31.83 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.8 t -110.66 -85.13 0.55 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.135 0.974 . . . . 0.0 111.266 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 m -52.27 -32.46 37.42 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.898 1.226 . . . . 0.0 113.736 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.3 m -66.56 -30.92 71.34 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.57 -0.706 . . . . 0.0 111.6 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.24 -39.23 65.64 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -58.76 -50.29 74.46 Favored 'General case' 0 CA--C 1.516 -0.339 0 O-C-N 125.05 1.469 . . . . 0.0 108.039 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -58.07 -50.64 72.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -51.65 67.27 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.8 t -66.26 -34.9 79.04 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.549 0.613 . . . . 0.0 110.095 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.6 m -65.61 -43.3 90.04 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -66.67 -27.56 67.76 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.275 0.943 . . . . 0.0 108.904 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.75 21.02 64.56 Favored Glycine 0 C--N 1.342 0.883 0 C-N-CA 124.527 1.061 . . . . 0.0 113.553 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.18 28.77 8.17 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.461 1.905 . . . . 0.0 112.358 -178.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 t -89.08 119.29 29.46 Favored 'General case' 0 CA--C 1.519 -0.217 0 O-C-N 120.234 -1.541 . . . . 0.0 108.647 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.454 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -156.26 148.23 23.12 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 178.666 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -79.03 -54.22 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 122.039 0.923 . . . . 0.0 112.473 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -62.23 -24.59 67.33 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.639 0.776 . . . . 0.0 111.997 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.454 ' HB2' HG23 ' A' ' 33' ' ' THR . 70.2 mm-40 -75.75 -48.27 22.49 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 118.165 -0.921 . . . . 0.0 109.892 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.6 pt -60.78 -25.15 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 120.385 1.448 . . . . 0.0 111.551 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -69.32 -19.1 63.88 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.23 1.012 . . . . 0.0 110.037 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.94 -22.98 9.83 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.387 1.475 . . . . 0.0 111.087 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -86.46 96.78 10.16 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.11 1.364 . . . . 0.0 108.352 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.56 173.97 3.07 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.592 1.157 . . . . 0.0 111.018 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -49.01 -27.57 3.29 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.591 1.957 . . . . 0.0 114.334 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.5 -43.3 49.8 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.625 0.77 . . . . 0.0 112.701 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -45.07 91.2 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.1 mt -58.72 -44.37 90.4 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.657 1.183 . . . . 0.0 108.368 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.33 94.35 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.5 m -67.0 -16.27 64.26 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.184 0.593 . . . . 0.0 112.146 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.74 7.81 13.93 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.593 1.157 . . . . 0.0 108.829 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? 71.92 27.01 2.83 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 127.452 2.301 . . . . 0.0 110.861 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.2 mm -91.51 117.81 68.02 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.6 148.09 41.57 Favored 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 123.38 2.72 . . . . 0.0 112.2 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -36.39 17.27 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.185 2.194 . . . . 0.0 113.191 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -55.15 -28.17 50.89 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.707 0.803 . . . . 0.0 112.26 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -117.57 -43.96 2.78 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.931 0.892 . . . . 0.0 109.934 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -44.94 -54.99 5.89 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.98 2.112 . . . . 0.0 113.938 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -65.95 -30.01 70.51 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 119.067 -1.053 . . . . 0.0 110.705 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.77 -49.38 59.11 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 119.399 1.0 . . . . 0.0 109.592 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.3 tt -54.7 -50.0 63.66 Favored 'Isoleucine or valine' 0 C--O 1.244 0.768 0 CA-C-N 119.711 1.141 . . . . 0.0 110.048 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -64.79 -46.17 83.18 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 113.953 -1.476 . . . . 0.0 110.303 -178.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -59.57 -42.0 91.45 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 116.906 -1.521 . . . . 0.0 110.583 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.86 -50.74 62.78 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 119.441 1.019 . . . . 0.0 111.754 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.3 tp -69.3 -42.92 81.49 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.98 -32.52 74.09 Favored 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.5 -36.88 71.26 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -65.83 -56.33 12.44 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 123.403 0.681 . . . . 0.0 109.261 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -64.07 -25.41 68.1 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.325 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -76.7 -40.27 49.33 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.307 0.958 . . . . 0.0 110.012 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.8 mt -80.42 -13.01 59.49 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 117.807 -1.092 . . . . 0.0 113.528 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.16 -178.12 4.2 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 120.142 1.337 . . . . 0.0 111.275 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 CA--C 1.503 -0.851 0 C-N-CA 124.702 1.201 . . . . 0.0 109.021 -179.694 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.704 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.24 170.11 20.64 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 122.042 1.828 . . . . 0.0 108.459 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 tp -160.08 171.69 18.83 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.86 36.27 25.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 121.813 -0.554 . . . . 0.0 112.735 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 p -66.32 98.72 0.49 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.593 1.557 . . . . 0.0 111.348 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.0 m -67.82 137.73 55.57 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.6 p-10 -152.51 171.87 17.43 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 124.441 1.096 . . . . 0.0 110.626 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.6 m -135.34 127.15 29.29 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.631 1.172 . . . . 0.0 107.872 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.3 m -159.43 169.32 24.18 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.691 1.597 . . . . 0.0 107.828 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 mm -52.63 -29.72 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 117.617 -1.183 . . . . 0.0 112.756 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.5 m -50.35 -47.79 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 O-C-N 124.126 0.891 . . . . 0.0 110.877 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 t -60.75 -41.39 95.33 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.546 1.138 . . . . 0.0 110.243 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -66.79 -51.83 51.12 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.663 0.785 . . . . 0.0 110.438 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.54 -41.66 97.67 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.754 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.9 -48.69 80.68 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -62.57 -47.32 84.36 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.468 -0.77 . . . . 0.0 111.728 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.89 -31.0 72.03 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.166 0.439 . . . . 0.0 110.778 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.24 21.26 23.08 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 125.113 1.339 . . . . 0.0 110.174 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 39.3 m -60.98 143.64 54.86 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.151 0.975 . . . . 0.0 109.681 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.6 t -110.94 -111.75 0.33 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.463 1.105 . . . . 0.0 109.287 -179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 m -52.15 -21.41 3.28 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.073 1.749 . . . . 0.0 114.952 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 57.1 m -65.14 -30.32 71.24 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.293 -0.879 . . . . 0.0 109.666 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.37 -42.63 87.68 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 178.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -58.02 -44.59 87.4 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 126.573 1.949 . . . . 0.0 109.562 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 -63.14 -51.98 64.34 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.42 ' HB3' HG22 ' A' ' 32' ' ' THR . 1.1 m-85 -55.13 -50.16 69.97 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.0 t -60.55 -38.5 84.69 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.026 0.83 . . . . 0.0 109.319 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.0 m -63.75 -31.39 72.55 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.332 -0.855 . . . . 0.0 109.707 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -80.78 -24.47 38.58 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 120.901 -1.124 . . . . 0.0 110.314 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.64 39.73 97.87 Favored Glycine 0 C--N 1.342 0.87 0 CA-C-N 119.702 1.137 . . . . 0.0 112.294 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 pp -141.9 34.74 1.57 Allowed 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.779 1.232 . . . . 0.0 111.796 -178.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.42 HG22 ' HB3' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -84.24 117.52 23.58 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 -179.719 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.411 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -156.7 147.78 22.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.803 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 mt -79.61 -51.74 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 122.345 1.069 . . . . 0.0 111.762 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -56.0 -23.6 33.79 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 126.462 1.905 . . . . 0.0 111.936 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HB2' HG23 ' A' ' 33' ' ' THR . 46.3 mm-40 -86.76 -43.33 12.62 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 117.803 -1.094 . . . . 0.0 110.673 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.8 pt -62.48 -23.48 32.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 120.04 1.291 . . . . 0.0 110.771 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.4 -17.2 63.64 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.544 1.066 . . . . 0.0 110.222 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -114.83 -22.35 9.69 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.642 1.177 . . . . 0.0 113.285 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -76.41 151.66 36.48 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -114.01 175.12 5.61 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 123.778 0.831 . . . . 0.0 110.867 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.5 ptp -49.66 -31.1 10.25 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.55 1.54 . . . . 0.0 113.163 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.62 -41.65 92.44 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 126.35 1.86 . . . . 0.0 111.814 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.68 -43.24 48.37 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.7 mt -55.23 -41.0 71.51 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.35 -46.42 83.55 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.3 t -56.81 -43.41 80.94 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.054 0.942 . . . . 0.0 110.168 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.7 mt -76.55 29.22 0.12 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.691 1.996 . . . . 0.0 112.043 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt 65.27 11.14 7.03 Favored 'General case' 0 N--CA 1.46 0.056 0 C-N-CA 127.738 2.415 . . . . 0.0 116.17 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.3 mt -84.66 104.78 4.98 Favored Pre-proline 0 CA--C 1.549 0.908 0 CA-C-N 120.955 1.707 . . . . 0.0 111.527 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -78.28 159.62 29.59 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.883 2.389 . . . . 0.0 110.815 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.414 ' HA ' ' HB3' ' A' ' 55' ' ' ARG . 1.2 pm0 -55.85 -27.23 50.55 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -58.3 -23.14 55.44 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.836 0.744 . . . . 0.0 111.918 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -128.21 -32.97 2.2 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.045 1.338 . . . . 0.0 111.907 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.414 ' HB3' ' HA ' ' A' ' 52' ' ' GLU . 49.1 ttp180 -51.63 -38.24 53.81 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 126.026 1.731 . . . . 0.0 111.105 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -64.57 -33.81 76.78 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-O 118.81 -0.614 . . . . 0.0 110.331 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.56 -51.18 59.27 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 119.618 1.099 . . . . 0.0 111.891 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.8 tt -61.2 -53.88 42.85 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 123.48 0.712 . . . . 0.0 109.502 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -59.32 -56.85 16.86 Favored 'General case' 0 N--CA 1.441 -0.894 0 O-C-N 124.353 1.033 . . . . 0.0 110.871 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -57.51 -39.39 76.41 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 118.785 -0.626 . . . . 0.0 110.824 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.89 -50.36 68.4 Favored Glycine 0 CA--C 1.523 0.589 0 CA-C-N 119.407 1.003 . . . . 0.0 112.339 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 5.6 tp -74.15 -39.02 49.64 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.636 0 CA-C-O 119.089 -0.482 . . . . 0.0 111.888 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.46 -32.64 74.15 Favored 'General case' 0 C--O 1.223 -0.299 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -72.33 -40.38 67.48 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -63.55 -56.86 12.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.688 1.195 . . . . 0.0 108.738 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -26.6 68.74 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 118.687 -0.673 . . . . 0.0 110.564 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -78.62 -21.83 47.89 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.249 0.931 . . . . 0.0 110.827 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.8 mt -112.54 -1.65 14.85 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.61 135.73 47.2 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 121.711 2.05 . . . . 0.0 108.465 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t70 . . . . . 0 C--O 1.25 1.122 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 178.898 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.721 0 N-CA-C 110.201 -1.16 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -70.12 174.18 10.2 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 122.917 2.411 . . . . 0.0 111.398 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp -95.71 -91.26 0.22 Allowed 'General case' 0 C--O 1.233 0.208 0 N-CA-C 105.306 -2.109 . . . . 0.0 105.306 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.09 160.92 9.84 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 128.083 2.754 . . . . 0.0 108.194 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.9 m -87.99 -172.21 3.73 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.678 1.191 . . . . 0.0 108.553 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.8 m -63.38 156.03 27.13 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 49.39 32.88 4.9 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 127.032 2.133 . . . . 0.0 113.336 178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.6 t -76.89 -67.45 0.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.9 m -135.6 156.94 48.06 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 123.628 0.771 . . . . 0.0 109.85 -178.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.457 HD11 ' CD1' ' A' ' 37' ' ' ILE . 7.0 mm -52.16 -27.68 10.1 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 C-N-CA 124.58 1.152 . . . . 0.0 114.109 -178.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -53.47 -45.64 58.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 118.345 0.521 . . . . 0.0 110.315 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -74.41 -35.42 63.42 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 124.114 0.966 . . . . 0.0 110.966 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -63.24 -48.51 77.93 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.625 ' HE2' HD13 ' A' ' 58' ' ' ILE . 4.1 m-30 -61.76 -35.83 79.26 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.38 97.46 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -68.77 -44.25 74.08 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.861 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.98 -39.16 93.87 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.6 11.3 17.54 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 125.673 1.606 . . . . 0.0 112.213 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 t -57.32 159.08 4.91 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.862 1.331 . . . . 0.0 111.864 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.3 t -125.5 -105.45 0.34 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.702 1.201 . . . . 0.0 109.048 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.8 m -52.25 -28.08 17.39 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 116.585 2.069 . . . . 0.0 116.585 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.3 m -72.04 -24.14 61.49 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 120.173 1.351 . . . . 0.0 111.51 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -41.49 67.93 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 177.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.56 -45.99 90.41 Favored 'General case' 0 CA--C 1.515 -0.372 0 O-C-N 123.616 0.572 . . . . 0.0 110.185 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -56.1 -47.61 77.74 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -57.55 -50.71 72.19 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.268 0.485 . . . . 0.0 111.0 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.9 p -61.38 -45.3 94.94 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.264 0.938 . . . . 0.0 111.231 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.5 m -62.96 -28.95 70.44 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.938 1.695 . . . . 0.0 110.301 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -84.95 -23.35 28.83 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.09 0.956 . . . . 0.0 111.824 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.14 40.53 71.71 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.929 1.252 . . . . 0.0 113.071 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.03 23.66 4.2 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.099 1.759 . . . . 0.0 113.167 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.74 118.37 23.86 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 120.964 -1.085 . . . . 0.0 109.123 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.98 146.74 22.03 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 177.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.2 mm -79.13 -55.6 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-O 122.803 1.287 . . . . 0.0 112.065 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -59.25 -20.27 52.74 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 126.441 1.896 . . . . 0.0 113.106 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -85.33 -42.33 14.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 118.566 -0.731 . . . . 0.0 112.616 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.457 ' CD1' HD11 ' A' ' 10' ' ' ILE . 16.2 pt -62.34 -19.36 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 119.69 1.132 . . . . 0.0 111.058 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -75.98 -12.06 60.07 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 118.985 0.811 . . . . 0.0 112.205 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -114.04 -23.58 9.47 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.803 0.841 . . . . 0.0 110.302 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -79.25 96.12 5.84 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.506 1.122 . . . . 0.0 108.248 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.2 m -67.16 173.98 3.47 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 122.422 1.106 . . . . 0.0 110.734 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 77.4 mtm -55.25 -31.05 61.23 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.393 1.077 . . . . 0.0 113.073 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -61.33 -50.33 73.4 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 118.912 0.778 . . . . 0.0 110.369 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -41.69 88.77 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 122.729 0.412 . . . . 0.0 109.97 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.6 mt -58.92 -51.22 70.99 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.83 -32.13 72.43 Favored 'General case' 0 C--O 1.238 0.474 0 O-C-N 121.223 -0.923 . . . . 0.0 112.081 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.5 t -67.81 -39.73 83.93 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.552 1.541 . . . . 0.0 109.748 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.2 mt -70.76 23.85 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 128.394 2.678 . . . . 0.0 113.536 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm 67.36 10.15 7.52 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 128.839 2.856 . . . . 0.0 112.949 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.2 mm -73.46 122.15 86.91 Favored Pre-proline 0 C--O 1.238 0.481 0 C-N-CA 124.321 1.048 . . . . 0.0 109.431 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.17 147.56 54.18 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 N-CA-C 107.583 -1.737 . . . . 0.0 107.583 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -51.56 -39.66 58.25 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 124.701 1.2 . . . . 0.0 113.996 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -56.41 -53.24 59.72 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.957 1.303 . . . . 0.0 112.234 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -76.38 -43.77 39.18 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.9 ttp85 -48.55 -47.18 39.58 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.32 1.048 . . . . 0.0 111.109 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -61.24 -35.53 77.51 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.351 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.59 -44.45 64.44 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 119.326 0.967 . . . . 0.0 112.219 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.625 HD13 ' HE2' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -64.44 -51.65 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 CA-C-N 118.941 0.792 . . . . 0.0 108.969 179.796 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -58.24 -44.57 88.34 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.172 -178.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -62.33 -40.64 97.0 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.379 178.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.13 -50.82 63.76 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 119.87 1.214 . . . . 0.0 112.288 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.9 tp -70.43 -41.74 78.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 118.658 -0.687 . . . . 0.0 112.134 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.97 -32.44 72.89 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -71.32 -39.41 71.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.258 0.552 . . . . 0.0 110.015 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -68.32 -52.63 31.31 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.486 1.115 . . . . 0.0 111.047 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -31.1 72.17 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 118.099 -0.953 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -77.27 -30.51 54.35 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 118.361 -1.335 . . . . 0.0 111.402 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.7 mt -68.64 -46.9 67.99 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 124.4 1.08 . . . . 0.0 111.242 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.01 -175.46 4.56 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.184 0.594 . . . . 0.0 111.957 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.5 t0 . . . . . 0 C--O 1.245 0.831 0 C-N-CA 126.338 1.855 . . . . 0.0 107.813 -178.666 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.474 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -63.55 175.66 2.68 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 123.05 2.5 . . . . 0.0 112.377 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.9 mt -109.05 175.2 5.54 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.729 1.612 . . . . 0.0 108.98 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.51 49.9 0.05 OUTLIER Glycine 0 C--N 1.337 0.624 0 CA-C-O 118.438 -1.201 . . . . 0.0 115.236 178.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.99 -62.07 1.95 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.064 1.432 . . . . 0.0 109.75 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 m -96.13 135.25 38.18 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -76.7 -56.48 4.57 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 34.0 m -75.59 80.15 2.59 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.271 1.428 . . . . 0.0 109.795 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.7 t -157.6 155.87 30.89 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.32 1.448 . . . . 0.0 107.477 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 32' ' ' THR . 54.2 mt -58.33 -22.02 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 125.109 1.364 . . . . 0.0 110.356 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.2 m -48.89 -48.38 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.061 0.846 . . . . 0.0 112.453 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 t -65.05 -41.71 94.94 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 125.135 1.374 . . . . 0.0 109.888 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -61.8 -47.29 85.8 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.416 ' HZ ' HD12 ' A' ' 58' ' ' ILE . 6.7 m-30 -64.09 -36.38 83.84 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.69 1.196 . . . . 0.0 109.679 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.15 -35.44 80.29 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -71.9 -48.84 42.8 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.4 mt -62.96 -36.25 82.83 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.889 0.875 . . . . 0.0 112.612 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.68 15.69 14.58 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 125.757 1.646 . . . . 0.0 110.913 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -81.61 104.46 12.04 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.952 1.376 . . . . 0.0 107.676 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.2 m -84.13 -82.77 0.16 Allowed 'General case' 0 C--O 1.234 0.244 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -23.11 22.95 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.277 1.031 . . . . 0.0 113.681 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.3 m -66.48 -33.93 76.8 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 120.983 -1.073 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 pp -71.19 -35.95 71.76 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -61.43 -45.09 95.77 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 123.965 0.906 . . . . 0.0 109.576 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -59.18 -49.84 76.32 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -59.75 -53.39 58.55 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.403 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.0 p -52.64 -41.11 63.46 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 120.986 1.721 . . . . 0.0 111.463 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.1 m -65.99 -39.31 90.2 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.056 0.844 . . . . 0.0 110.133 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -68.95 -14.58 63.12 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 120.381 1.446 . . . . 0.0 111.321 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.89 31.11 77.22 Favored Glycine 0 C--N 1.342 0.862 0 C-N-CA 124.963 1.268 . . . . 0.0 113.421 178.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 pp -126.92 22.13 6.79 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.806 1.242 . . . . 0.0 113.446 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.497 ' HA ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -84.89 118.35 24.46 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 179.406 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -156.67 148.13 22.42 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.446 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.4 mt -78.74 -54.96 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 122.134 0.968 . . . . 0.0 111.009 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.85 -25.92 61.34 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 126.772 2.029 . . . . 0.0 112.953 -177.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.483 ' HB2' HG23 ' A' ' 33' ' ' THR . 31.6 mm-40 -79.27 -53.65 6.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 118.3 -0.857 . . . . 0.0 109.703 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.2 pt -60.44 -25.88 35.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-N 119.008 0.822 . . . . 0.0 110.414 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.71 -27.21 69.1 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.03 0.832 . . . . 0.0 110.973 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -111.53 -22.06 11.44 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.017 0.927 . . . . 0.0 113.007 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -77.78 115.62 17.67 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.8 m -70.43 164.97 23.5 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.63 -0.669 . . . . 0.0 109.955 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.0 ptm -54.58 -26.85 34.95 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.34 -45.36 94.76 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 125.687 1.595 . . . . 0.0 109.769 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -42.53 89.01 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 124.723 1.209 . . . . 0.0 109.695 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.6 mp -60.01 -42.71 94.92 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.68 92.08 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.254 -0.904 . . . . 0.0 108.778 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 72.8 m -65.95 -21.12 66.41 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.232 -0.918 . . . . 0.0 110.617 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.2 mt -91.3 19.38 6.04 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.074 1.35 . . . . 0.0 109.824 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt 67.87 13.47 9.19 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 128.586 2.755 . . . . 0.0 114.143 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.1 mm -72.85 120.9 83.38 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.02 138.53 37.2 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.23 2.62 . . . . 0.0 109.763 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.04 -43.99 3.41 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 127.83 2.452 . . . . 0.0 113.733 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -54.46 -49.94 68.87 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 123.91 0.884 . . . . 0.0 111.603 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -87.34 -40.5 14.39 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.24 0.616 . . . . 0.0 111.085 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -48.67 -41.81 32.61 Favored 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 126.357 1.863 . . . . 0.0 110.291 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -62.78 -38.0 88.91 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 118.629 -0.7 . . . . 0.0 111.045 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.22 -45.29 73.71 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 119.474 1.034 . . . . 0.0 111.865 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.416 HD12 ' HZ ' ' A' ' 14' ' ' PHE . 1.8 tt -61.87 -49.85 82.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 O-C-N 121.321 -0.862 . . . . 0.0 109.198 179.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -61.3 -56.7 17.54 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 124.44 1.088 . . . . 0.0 110.919 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -57.37 -44.99 84.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 118.462 -0.78 . . . . 0.0 110.55 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.39 -50.23 57.33 Favored Glycine 0 C--N 1.335 0.474 0 CA-C-N 118.819 0.736 . . . . 0.0 112.295 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -75.01 -39.8 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-O 118.842 -0.599 . . . . 0.0 112.023 -178.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.89 -34.45 77.98 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 119.734 -0.786 . . . . 0.0 108.939 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.87 -35.32 64.71 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -62.86 -56.85 13.66 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -30.31 71.4 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-O 119.114 -0.469 . . . . 0.0 110.493 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -67.32 -31.69 72.15 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 119.553 -0.859 . . . . 0.0 109.47 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 86.4 mt -97.6 -19.32 18.39 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 114.868 1.432 . . . . 0.0 114.868 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -125.02 95.57 4.55 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 127.229 2.212 . . . . 0.0 106.655 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.247 0.946 0 C-N-CA 125.656 1.582 . . . . 0.0 111.731 -179.579 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.667 0 CA-C-O 119.211 -0.772 . . . . 0.0 111.497 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -86.56 -26.12 1.08 Allowed 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 122.528 2.152 . . . . 0.0 113.273 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 mp -120.14 157.14 29.64 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.98 1.312 . . . . 0.0 109.616 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.9 47.49 0.02 OUTLIER Glycine 0 CA--C 1.523 0.593 0 CA-C-O 119.153 -0.804 . . . . 0.0 111.343 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.9 m -78.61 131.51 36.74 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 118.048 0.924 . . . . 0.0 108.857 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.0 p -95.19 29.74 2.38 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.571 1.148 . . . . 0.0 111.53 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.3 155.13 39.65 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 121.33 -0.856 . . . . 0.0 111.655 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.87 123.78 24.08 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.7 m -168.14 163.71 13.33 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.677 1.191 . . . . 0.0 109.439 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.404 ' CD1' HD13 ' A' ' 37' ' ' ILE . 40.1 mm -49.36 -29.23 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.773 1.629 . . . . 0.0 111.728 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -48.77 -48.88 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 t -67.42 -41.55 84.65 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 122.946 0.498 . . . . 0.0 111.442 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -63.27 -48.27 78.87 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.474 0.71 . . . . 0.0 109.683 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -62.8 -43.93 97.49 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.889 1.276 . . . . 0.0 110.277 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.14 -43.23 82.23 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -63.42 -49.65 72.91 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 118.635 0.652 . . . . 0.0 110.791 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.76 -38.54 88.39 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 117.783 0.265 . . . . 0.0 110.684 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.89 10.42 20.99 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 126.158 1.837 . . . . 0.0 111.079 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.8 m -79.27 102.99 8.89 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 105.144 -2.169 . . . . 0.0 105.144 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.7 t -87.57 -71.89 0.55 Allowed 'General case' 0 CA--C 1.527 0.095 0 CA-C-N 118.839 0.745 . . . . 0.0 112.384 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -52.45 -31.04 32.76 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.49 1.041 . . . . 0.0 112.67 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.4 m -63.28 -31.44 72.59 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 121.598 -0.689 . . . . 0.0 111.311 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.74 -38.83 73.56 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -60.78 -44.23 97.05 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -60.64 -51.69 68.32 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -56.75 -42.78 79.9 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.1 p -71.69 -39.84 69.96 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.691 0.796 . . . . 0.0 111.323 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.0 m -65.25 -40.65 94.28 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -71.73 -14.57 62.05 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.92 -0.488 . . . . 0.0 112.133 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.1 27.39 72.26 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 126.383 1.944 . . . . 0.0 113.878 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 pp -117.1 19.22 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 125.574 1.55 . . . . 0.0 112.996 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.33 115.88 22.72 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.36 148.11 21.34 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 177.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 mm -79.5 -55.45 9.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-O 122.396 1.093 . . . . 0.0 112.136 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -59.62 -18.49 41.96 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 126.697 1.999 . . . . 0.0 113.445 -177.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -85.27 -47.78 9.73 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 118.067 -0.968 . . . . 0.0 109.38 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.411 HG21 HD11 ' A' ' 58' ' ' ILE . 16.7 pt -63.98 -22.65 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 119.823 1.192 . . . . 0.0 111.468 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -63.44 -27.48 69.31 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.413 1.485 . . . . 0.0 109.69 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -114.44 -22.14 10.0 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.662 1.985 . . . . 0.0 113.276 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -76.04 98.83 4.42 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 m -70.81 172.23 9.21 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.641 0.776 . . . . 0.0 109.465 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -48.4 -34.32 10.65 Favored 'General case' 0 C--O 1.227 -0.118 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -177.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.66 -50.22 73.88 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.572 1.149 . . . . 0.0 110.107 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.94 -43.58 78.8 Favored 'General case' 0 CA--C 1.517 -0.312 0 O-C-N 121.749 -0.594 . . . . 0.0 110.822 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 mt -58.35 -48.61 80.01 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.02 97.91 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 119.203 -0.427 . . . . 0.0 110.366 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -63.82 -26.4 68.61 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.266 0.485 . . . . 0.0 111.273 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.5 mt -76.5 10.99 1.78 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.498 1.519 . . . . 0.0 110.59 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? 74.55 3.19 4.24 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 129.385 3.074 . . . . 0.0 113.112 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.8 mm -65.74 115.48 22.94 Favored Pre-proline 0 CA--C 1.533 0.316 0 N-CA-C 103.441 -2.8 . . . . 0.0 103.441 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.86 151.08 68.38 Favored 'Trans proline' 0 N--CA 1.451 -1.01 0 CA-C-N 120.31 1.147 . . . . 0.0 109.882 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -54.58 -35.63 63.52 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.398 1.079 . . . . 0.0 109.984 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -61.01 -14.47 23.3 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.337 2.255 . . . . 0.0 113.214 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -125.92 -38.57 2.18 Favored 'General case' 0 CA--C 1.522 -0.107 0 C-N-CA 125.387 1.475 . . . . 0.0 110.978 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.34 -34.0 45.41 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.5 1.046 . . . . 0.0 110.971 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -63.49 -32.2 73.58 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 119.232 0.924 . . . . 0.0 109.874 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.72 -53.71 30.62 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 119.88 1.218 . . . . 0.0 110.614 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.411 HD11 HG21 ' A' ' 37' ' ' ILE . 3.8 tt -61.04 -53.16 52.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -60.12 -49.87 75.93 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.61 -0.709 . . . . 0.0 112.019 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -61.91 -37.25 83.93 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 119.682 1.128 . . . . 0.0 110.442 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.72 -50.34 68.77 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 119.96 -1.114 . . . . 0.0 110.991 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.6 tp -70.35 -44.79 77.17 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.42 -34.34 73.81 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.02 -39.65 69.03 Favored 'General case' 0 C--O 1.222 -0.354 0 O-C-N 123.395 0.434 . . . . 0.0 109.925 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -66.66 -51.1 59.98 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.393 1.477 . . . . 0.0 110.533 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -28.35 67.12 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -79.29 -24.34 42.96 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.228 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.09 -27.55 18.5 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -130.31 117.46 19.82 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 . . . . . 0 C--O 1.249 1.064 0 C-N-CA 125.384 1.473 . . . . 0.0 111.176 -179.746 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.999 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -62.59 161.74 27.1 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 123.057 2.505 . . . . 0.0 111.338 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.4 tp -161.43 117.35 2.13 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.43 151.27 5.5 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 p -150.72 171.94 16.37 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 125.179 1.392 . . . . 0.0 107.887 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.04 130.78 31.88 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.0 -68.05 0.46 Allowed 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.8 t -78.97 92.35 4.93 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.5 t -160.62 165.59 30.42 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 126.855 2.062 . . . . 0.0 106.708 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.507 HD11 HD11 ' A' ' 37' ' ' ILE . 17.0 mm -61.54 -18.15 18.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 CA-C-O 117.833 -1.079 . . . . 0.0 111.754 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 m -53.51 -51.68 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 119.205 0.912 . . . . 0.0 109.318 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.6 m -60.86 -42.19 97.39 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.147 1.379 . . . . 0.0 110.116 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -62.02 -45.53 93.19 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.534 -0.729 . . . . 0.0 109.518 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.674 ' HE2' HD13 ' A' ' 58' ' ' ILE . 2.9 m-85 -64.11 -39.9 95.05 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 117.52 -1.229 . . . . 0.0 110.666 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.15 -44.4 87.85 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.5 mtp85 -72.62 -35.22 67.77 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 mt -68.66 -35.37 77.15 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 119.166 -0.445 . . . . 0.0 109.997 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.35 6.38 36.2 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 125.944 1.735 . . . . 0.0 110.348 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 84.4 m -71.47 106.97 4.15 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.3 m -81.0 -100.51 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.627 1.571 . . . . 0.0 111.062 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.9 p -51.63 -26.56 9.19 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.413 1.885 . . . . 0.0 114.585 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 75.9 m -63.73 -32.38 73.85 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 120.833 -1.167 . . . . 0.0 110.683 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.43 -38.27 74.52 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -58.79 -44.67 90.78 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.023 0.929 . . . . 0.0 109.563 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -65.49 -49.7 68.04 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.98 -49.05 72.4 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.283 0.947 . . . . 0.0 112.887 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.9 p -62.24 -47.75 83.01 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.191 0.996 . . . . 0.0 110.159 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 m -65.03 -32.74 74.61 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.377 -0.82 . . . . 0.0 110.252 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -72.85 -26.95 61.65 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.964 1.256 . . . . 0.0 109.788 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.12 36.89 39.17 Favored Glycine 0 C--N 1.338 0.66 0 C-N-CA 124.531 1.063 . . . . 0.0 113.144 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.39 22.37 4.03 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.234 1.414 . . . . 0.0 113.636 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.41 118.07 24.03 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.004 -1.06 . . . . 0.0 108.209 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.479 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -156.93 149.62 23.52 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.096 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -78.51 -55.64 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.829 0.823 . . . . 0.0 111.693 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -59.57 -22.61 61.99 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 126.377 1.871 . . . . 0.0 112.918 -176.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.479 ' HB2' HG23 ' A' ' 33' ' ' THR . 35.3 mm-40 -83.87 -52.97 5.93 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 118.675 -0.679 . . . . 0.0 110.638 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.53 ' CD1' HD11 ' A' ' 58' ' ' ILE . 36.8 pt -62.05 -23.18 30.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 118.728 0.695 . . . . 0.0 110.837 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -64.83 -24.35 67.52 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 118.397 -0.811 . . . . 0.0 109.631 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -114.46 -23.45 9.33 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.582 1.083 . . . . 0.0 112.624 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -71.45 105.54 3.61 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.567 1.547 . . . . 0.0 108.078 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.0 m -67.6 170.53 7.54 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.567 0.698 . . . . 0.0 112.1 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -27.0 21.62 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.597 1.559 . . . . 0.0 112.267 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -64.67 -49.26 71.68 Favored 'General case' 0 N--CA 1.46 0.049 0 C-N-CA 124.859 1.264 . . . . 0.0 108.27 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.22 -45.25 94.17 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 mp -55.67 -47.41 76.76 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.86 -45.62 93.0 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 118.889 -0.577 . . . . 0.0 110.153 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 59.7 p -61.95 -32.53 72.96 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 118.913 0.779 . . . . 0.0 111.805 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.3 mt -75.79 11.78 1.27 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.715 1.606 . . . . 0.0 111.052 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.85 20.24 8.06 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 128.742 2.817 . . . . 0.0 113.351 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.3 mm -77.18 124.51 87.17 Favored Pre-proline 0 CA--C 1.543 0.694 0 CA-C-N 118.668 0.667 . . . . 0.0 109.254 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -66.41 135.35 39.18 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.92 2.413 . . . . 0.0 110.715 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -41.52 -50.49 3.98 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 116.867 2.173 . . . . 0.0 116.867 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -55.31 -42.45 73.72 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.351 1.06 . . . . 0.0 111.4 -177.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -86.18 -44.79 11.91 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.801 -0.618 . . . . 0.0 110.83 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -50.77 -48.15 59.42 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.734 0.814 . . . . 0.0 113.143 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -68.31 -25.32 65.07 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.322 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.39 -47.22 43.79 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 119.875 1.216 . . . . 0.0 110.443 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.674 HD13 ' HE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -62.1 -50.72 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.748 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -54.38 -51.96 63.18 Favored 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 124.298 0.999 . . . . 0.0 109.9 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -57.74 -39.89 78.39 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 118.529 -0.748 . . . . 0.0 109.98 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.91 -50.6 65.71 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 119.382 0.992 . . . . 0.0 113.376 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.5 tp -71.45 -40.88 72.87 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-N 118.06 0.93 . . . . 0.0 111.813 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.08 -32.43 72.97 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -73.29 -41.33 63.71 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -61.32 -56.96 14.54 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -23.77 66.09 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.011 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -67.15 -42.9 83.57 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 120.26 1.391 . . . . 0.0 108.702 177.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.9 mt -76.22 -60.38 2.36 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 123.344 0.658 . . . . 0.0 111.201 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -75.7 177.92 6.48 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.96 1.304 . . . . 0.0 110.12 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 p30 . . . . . 0 C--O 1.247 0.967 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 178.286 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.716 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -69.23 163.35 38.18 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.301 2.001 . . . . 0.0 110.9 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.5 mt -81.04 -32.13 34.22 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 118.826 -0.607 . . . . 0.0 111.277 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.85 -108.86 2.69 Favored Glycine 0 C--N 1.334 0.453 0 N-CA-C 105.54 -3.024 . . . . 0.0 105.54 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m 60.28 -0.49 0.25 Allowed 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.3 p -78.14 -21.86 49.64 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 120.242 1.383 . . . . 0.0 113.53 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -72.95 167.37 21.18 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 122.071 0.938 . . . . 0.0 111.415 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 98.4 m -105.81 77.85 1.29 Allowed 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.522 1.129 . . . . 0.0 108.963 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -141.56 175.64 9.52 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 124.132 0.973 . . . . 0.0 108.634 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mm -54.78 -22.18 9.27 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 CA-C-O 117.47 -1.252 . . . . 0.0 112.609 -178.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.2 m -55.43 -43.97 74.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 120.385 1.448 . . . . 0.0 110.394 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 t -68.36 -43.02 78.35 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 123.35 0.66 . . . . 0.0 109.915 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -66.83 -53.18 35.23 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 123.037 0.211 . . . . 0.0 111.473 -177.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.608 ' HE2' HD13 ' A' ' 58' ' ' ILE . 5.6 m-30 -58.87 -40.22 83.7 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.779 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.4 89.33 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -63.23 -36.74 84.67 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 118.692 0.678 . . . . 0.0 110.929 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.2 mt -66.2 -30.78 71.3 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.155 0.888 . . . . 0.0 110.117 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.77 16.12 18.34 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 126.055 1.788 . . . . 0.0 110.241 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 79.8 m -76.0 152.48 36.95 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.258 1.029 . . . . 0.0 110.283 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.7 t -123.25 -93.55 0.51 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.068 0.947 . . . . 0.0 109.148 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -52.36 -25.4 9.66 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.044 1.738 . . . . 0.0 114.102 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.2 m -64.33 -43.06 95.83 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 120.878 -1.139 . . . . 0.0 110.129 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.27 -34.06 74.18 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -59.72 -44.17 93.84 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 124.478 1.111 . . . . 0.0 108.87 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -64.62 -46.96 80.37 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.65 -43.56 89.83 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.3 p -67.37 -44.35 79.19 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 m -60.24 -42.19 94.75 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -71.66 -24.43 61.84 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.06 -1.025 . . . . 0.0 111.167 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.87 35.34 65.6 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 124.416 1.008 . . . . 0.0 112.294 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 pp -127.11 26.52 6.06 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.961 1.304 . . . . 0.0 112.508 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.44 115.94 22.81 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.194 -0.942 . . . . 0.0 108.654 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.77 148.28 20.8 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 122.067 -0.396 . . . . 0.0 112.044 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -79.54 -54.1 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.98 0.912 . . . . 0.0 112.039 178.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -60.71 -17.54 48.88 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 124.845 1.258 . . . . 0.0 113.567 -177.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -80.26 -49.98 10.85 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 58' ' ' ILE . 39.6 pt -63.11 -24.53 36.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 117.591 -1.195 . . . . 0.0 114.062 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -65.01 -19.28 65.92 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 121.04 1.745 . . . . 0.0 109.359 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -114.26 -22.82 9.75 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.258 1.023 . . . . 0.0 111.828 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -76.5 104.29 6.93 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 107.046 -1.465 . . . . 0.0 107.046 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -75.2 166.91 22.9 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 126.609 1.964 . . . . 0.0 110.436 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.09 -26.99 4.99 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.551 1.54 . . . . 0.0 114.92 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -75.34 -47.57 27.09 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 124.189 0.996 . . . . 0.0 110.544 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.56 -48.98 75.22 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 125.665 1.586 . . . . 0.0 108.208 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.5 mt -56.09 -49.68 73.14 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 124.968 1.307 . . . . 0.0 107.892 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.65 -39.24 93.27 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 121.56 -0.713 . . . . 0.0 111.274 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -27.83 69.49 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.353 0.524 . . . . 0.0 110.402 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.0 mt -77.08 15.02 0.76 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.216 1.006 . . . . 0.0 111.168 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.51 40.24 6.3 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 127.697 2.399 . . . . 0.0 111.851 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.3 mm -100.13 101.55 14.82 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 103.818 -2.66 . . . . 0.0 103.818 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -67.89 150.5 78.39 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.301 2.001 . . . . 0.0 111.249 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -48.8 -40.48 29.23 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.016 1.326 . . . . 0.0 114.439 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -55.16 -17.38 4.17 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.808 1.643 . . . . 0.0 113.421 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -124.61 -44.27 1.98 Allowed 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.844 1.658 . . . . 0.0 109.856 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.4 ttp85 -50.18 -43.86 52.61 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 126.349 1.859 . . . . 0.0 112.299 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -62.67 -32.98 74.14 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 119.103 -0.475 . . . . 0.0 111.481 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.8 -46.32 53.81 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.954 0.901 . . . . 0.0 111.564 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.608 HD13 ' HE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -59.69 -51.46 72.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 119.105 0.866 . . . . 0.0 108.986 179.403 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -60.85 -49.29 78.08 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 124.089 0.868 . . . . 0.0 110.803 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -64.05 -36.94 85.65 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 118.402 -0.809 . . . . 0.0 110.963 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.32 -50.36 67.33 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 119.787 1.176 . . . . 0.0 111.2 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.62 -44.8 59.95 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.419 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.89 -32.75 74.08 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.073 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -72.8 -38.06 67.34 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.477 0.581 . . . . 0.0 110.266 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -65.17 -56.61 11.87 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 124.523 1.129 . . . . 0.0 108.378 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -29.96 71.08 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.335 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -73.81 -30.86 62.95 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.286 0.948 . . . . 0.0 111.238 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.5 mt -97.44 -8.37 29.51 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.47 ' CD2' ' H ' ' A' ' 70' ' ' ASP . 49.4 t60 -127.36 -170.51 2.23 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 126.406 1.882 . . . . 0.0 108.859 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.47 ' H ' ' CD2' ' A' ' 69' ' ' HIS . 17.4 t70 . . . . . 0 C--O 1.25 1.105 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.544 0 CA-C-O 118.499 -1.167 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -71.08 158.71 54.39 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.346 2.031 . . . . 0.0 109.899 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -147.69 136.97 22.4 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.23 -68.13 3.52 Favored Glycine 0 C--N 1.331 0.297 0 N-CA-C 109.059 -1.617 . . . . 0.0 109.059 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.3 16.67 0.12 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.061 1.744 . . . . 0.0 112.253 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.2 p -69.57 -11.78 61.11 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 125.678 1.591 . . . . 0.0 111.033 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -89.59 -44.28 10.19 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 127.524 2.329 . . . . 0.0 112.299 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 99.6 m -116.69 104.23 11.16 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 126.281 1.832 . . . . 0.0 108.732 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m -152.55 160.72 43.2 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.589 1.956 . . . . 0.0 107.415 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.3 mm -48.04 -31.39 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.344 1.458 . . . . 0.0 111.509 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.5 m -48.96 -48.65 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 O-C-N 123.91 0.756 . . . . 0.0 112.044 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 t -67.32 -38.12 84.41 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.474 0.579 . . . . 0.0 110.952 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -64.27 -48.16 76.78 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.36 -0.837 . . . . 0.0 108.758 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -62.0 -41.0 97.58 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.929 1.692 . . . . 0.0 111.285 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.74 -50.36 73.49 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -59.27 -43.09 92.5 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-O 118.4 -0.81 . . . . 0.0 111.392 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.62 -40.24 96.33 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.956 0.798 . . . . 0.0 110.414 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.37 14.86 7.97 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 126.066 1.794 . . . . 0.0 111.577 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.2 m -62.71 165.87 6.06 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.193 1.497 . . . . 0.0 112.261 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.8 t -129.05 -110.21 0.27 Allowed 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.5 m -52.36 -21.94 4.1 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.238 1.415 . . . . 0.0 114.65 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.8 m -61.33 -34.94 76.08 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.044 -1.035 . . . . 0.0 109.688 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.94 -40.69 87.64 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.85 -49.69 75.25 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 126.778 2.031 . . . . 0.0 110.74 -178.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -60.7 -47.97 83.88 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -58.04 -49.95 75.12 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.296 2.9 t -65.04 -45.66 84.5 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.768 1.227 . . . . 0.0 111.518 -177.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.3 m -59.15 -38.84 80.69 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -75.35 -17.47 60.23 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.21 40.96 87.55 Favored Glycine 0 CA--C 1.527 0.807 0 O-C-N 121.149 -0.97 . . . . 0.0 111.518 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pp -129.79 19.07 5.61 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.465 1.106 . . . . 0.0 112.368 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.45 119.09 26.33 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 121.21 -0.931 . . . . 0.0 111.162 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.01 148.06 23.31 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.285 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.4 mm -78.92 -47.86 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 122.43 1.109 . . . . 0.0 109.597 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.07 -26.51 68.87 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.677 1.991 . . . . 0.0 112.816 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -81.24 -42.68 20.35 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 121.865 -0.522 . . . . 0.0 112.162 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.5 pt -60.69 -18.57 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 CA-C-N 118.608 0.64 . . . . 0.0 112.278 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -62.27 -26.36 68.36 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.947 0.794 . . . . 0.0 109.531 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -116.25 -22.16 8.99 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.69 1.196 . . . . 0.0 113.545 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -68.85 110.71 4.5 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.854 1.206 . . . . 0.0 109.193 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 m -77.13 177.87 7.49 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.718 0.77 . . . . 0.0 110.507 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -62.72 -22.87 66.84 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.247 0.619 . . . . 0.0 110.637 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -65.09 -50.22 66.98 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 126.481 1.912 . . . . 0.0 110.335 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.94 -43.36 88.28 Favored 'General case' 0 N--CA 1.461 0.114 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.9 mt -54.55 -51.82 63.99 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.62 -40.87 84.54 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.258 0.623 . . . . 0.0 110.871 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.89 -32.57 73.86 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 122.581 0.352 . . . . 0.0 110.392 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.6 mt -82.57 35.28 0.45 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.874 1.269 . . . . 0.0 111.526 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 tptp 63.78 2.46 1.32 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.111 2.164 . . . . 0.0 116.841 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.9 mm -67.69 122.89 85.37 Favored Pre-proline 0 CA--C 1.539 0.547 0 C-N-CA 124.38 1.072 . . . . 0.0 109.958 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -73.37 141.24 31.54 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.729 2.286 . . . . 0.0 106.26 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -57.35 -29.86 64.35 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 119.455 1.025 . . . . 0.0 113.188 -178.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -55.42 -30.31 60.23 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.778 1.231 . . . . 0.0 111.825 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -109.94 -31.14 7.5 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.211 1.404 . . . . 0.0 109.739 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -54.7 -34.97 63.11 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 120.572 1.533 . . . . 0.0 108.175 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -63.82 -28.55 69.94 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 123.871 0.868 . . . . 0.0 110.895 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.57 -56.73 5.83 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 120.351 1.432 . . . . 0.0 109.517 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.7 tt -60.1 -53.9 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 119.637 -0.22 . . . . 0.0 110.606 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -53.01 63.08 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 123.677 0.61 . . . . 0.0 111.505 -177.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -58.7 -38.46 78.32 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 119.463 1.029 . . . . 0.0 109.712 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.94 -50.27 69.48 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 119.64 1.109 . . . . 0.0 112.06 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -42.6 55.25 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 CA-C-O 118.564 -0.731 . . . . 0.0 112.143 -178.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.53 -33.74 74.33 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.59 -35.13 65.36 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -67.4 -57.12 7.16 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 123.094 0.558 . . . . 0.0 109.57 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -29.17 70.44 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.316 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -73.54 -41.46 62.96 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.897 1.226 . . . . 0.0 110.816 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.2 mt -90.09 -4.11 57.54 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -136.1 19.86 3.21 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.054 1.341 . . . . 0.0 111.537 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.7 t0 . . . . . 0 C--O 1.251 1.139 0 C-N-CA 126.643 1.977 . . . . 0.0 109.527 -179.667 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.772 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -61.72 148.72 92.43 Favored 'Trans proline' 0 C--O 1.238 0.509 0 C-N-CA 122.739 2.293 . . . . 0.0 110.907 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.3 tt -143.83 128.64 18.33 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.2 1.4 . . . . 0.0 109.106 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.59 163.36 18.82 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 125.207 1.384 . . . . 0.0 110.32 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -73.05 105.29 4.44 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.6 p -86.85 -20.92 26.77 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.578 -0.701 . . . . 0.0 110.926 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 38.02 56.55 1.62 Allowed 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 129.489 3.116 . . . . 0.0 112.052 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.6 p -132.82 26.82 4.32 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.432 1.093 . . . . 0.0 112.808 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -154.46 162.15 41.31 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 124.642 1.177 . . . . 0.0 110.002 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.0 mm -58.58 -24.8 26.44 Favored 'Isoleucine or valine' 0 C--N 1.346 0.437 0 CA-C-O 117.337 -1.316 . . . . 0.0 111.592 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -50.45 -41.52 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 120.572 1.533 . . . . 0.0 111.049 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.0 t -73.07 -37.63 66.74 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -63.6 -49.87 71.64 Favored 'General case' 0 C--N 1.339 0.132 0 O-C-N 121.006 -1.059 . . . . 0.0 109.73 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.656 ' HE2' HD13 ' A' ' 58' ' ' ILE . 5.7 m-30 -61.12 -40.44 93.78 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 118.424 -0.798 . . . . 0.0 109.78 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.87 -47.79 84.77 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -64.26 -34.07 77.27 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 124.213 1.005 . . . . 0.0 112.532 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.5 mt -70.71 -50.94 30.94 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 178.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.08 -5.23 8.95 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 127.677 2.56 . . . . 0.0 111.493 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.2 m -60.8 104.4 0.35 Allowed 'General case' 0 C--N 1.342 0.262 0 C-N-CA 125.921 1.688 . . . . 0.0 110.603 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.54 -93.17 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.748 1.219 . . . . 0.0 113.364 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.4 m -56.22 -18.15 9.5 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 114.622 1.342 . . . . 0.0 114.622 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.2 m -62.97 -33.3 75.1 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.714 1.143 . . . . 0.0 109.669 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -38.06 75.97 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -58.67 -47.69 83.64 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 124.259 1.023 . . . . 0.0 109.462 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -61.97 -51.08 69.51 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -58.3 -45.42 88.01 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.6 t -67.19 -34.55 77.74 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.6 m -69.18 -25.21 64.23 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.524 -1.36 . . . . 0.0 110.405 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -87.57 -23.51 24.31 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.5 1.12 . . . . 0.0 111.082 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.5 39.89 86.74 Favored Glycine 0 C--N 1.342 0.915 0 C-N-CA 124.759 1.171 . . . . 0.0 113.633 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.45 29.08 1.79 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.803 1.641 . . . . 0.0 112.27 -178.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 t -88.04 118.17 27.41 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 120.873 -1.142 . . . . 0.0 110.643 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.528 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -158.54 149.8 20.76 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.017 -1.052 . . . . 0.0 111.849 179.643 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -79.08 -48.66 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 124.475 1.11 . . . . 0.0 110.822 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -60.25 -28.62 68.18 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 125.321 1.448 . . . . 0.0 112.062 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.528 ' HB2' HG23 ' A' ' 33' ' ' THR . 36.2 mt-30 -76.37 -49.66 16.24 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.248 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.509 ' CD1' HD11 ' A' ' 58' ' ' ILE . 46.7 pt -63.01 -19.9 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 119.027 0.83 . . . . 0.0 112.65 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.44 -25.83 68.18 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -115.05 -24.15 8.71 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.654 1.182 . . . . 0.0 113.316 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.411 ' HB2' ' HA ' ' A' ' 37' ' ' ILE . 3.4 m-85 -74.73 97.16 3.18 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.2 m -64.36 167.76 6.47 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.144 0.978 . . . . 0.0 111.294 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -53.94 -24.28 15.89 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -74.66 -40.16 61.6 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.659 1.183 . . . . 0.0 109.888 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.69 -42.65 77.52 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 178.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.6 mt -56.05 -51.45 67.77 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.66 -41.29 76.99 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.748 0.704 . . . . 0.0 111.215 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.1 t -58.74 -34.69 71.66 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.938 0.895 . . . . 0.0 111.713 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.5 mt -75.3 27.83 0.1 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.687 1.995 . . . . 0.0 114.509 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.44 33.56 13.59 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.643 1.577 . . . . 0.0 112.469 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 33.3 mm -101.19 133.94 20.65 Favored Pre-proline 0 CA--C 1.538 0.508 0 C-N-CA 125.073 1.349 . . . . 0.0 111.465 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -75.68 157.01 40.11 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.676 2.251 . . . . 0.0 107.966 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.3 -36.94 85.63 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 115.335 1.605 . . . . 0.0 115.335 -177.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -59.93 -53.09 61.98 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.575 1.079 . . . . 0.0 111.29 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -67.69 -42.9 81.34 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.09 -47.41 61.88 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 118.867 0.758 . . . . 0.0 109.302 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -63.26 -32.73 74.21 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 116.814 -1.565 . . . . 0.0 111.041 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.55 -52.57 44.19 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 120.748 1.613 . . . . 0.0 110.713 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.656 HD13 ' HE2' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -64.16 -53.02 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 O-C-N 122.033 -0.417 . . . . 0.0 109.971 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -43.06 85.92 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 123.561 0.538 . . . . 0.0 110.523 -178.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -62.17 -40.67 96.8 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-O 117.96 -1.019 . . . . 0.0 108.882 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.25 -51.32 57.4 Favored Glycine 0 C--O 1.226 -0.398 0 CA-C-N 119.22 0.918 . . . . 0.0 113.115 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.8 tp -66.29 -44.87 90.92 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.505 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.3 -31.34 71.93 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -73.95 -37.51 64.52 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.751 0.421 . . . . 0.0 110.209 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -65.9 -57.41 7.94 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.22 1.408 . . . . 0.0 107.207 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.54 -27.53 69.03 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 118.352 -0.832 . . . . 0.0 111.514 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -75.31 -31.05 60.53 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 120.515 1.507 . . . . 0.0 110.161 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.9 mt -98.1 -14.86 20.23 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -136.12 177.34 7.91 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 127.381 2.273 . . . . 0.0 111.134 -178.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.1 t70 . . . . . 0 C--O 1.249 1.06 0 C-N-CA 126.11 1.764 . . . . 0.0 106.342 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.56 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.81 -31.9 12.26 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 122.195 1.93 . . . . 0.0 111.461 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.1 -57.46 10.53 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.941 0.896 . . . . 0.0 108.999 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.57 -165.25 36.7 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 109.739 -1.344 . . . . 0.0 109.739 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -74.4 -179.38 3.95 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.206 1.402 . . . . 0.0 110.057 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 p -79.0 75.63 5.5 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 122.354 1.074 . . . . 0.0 109.446 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -118.45 166.72 12.34 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 127.563 2.345 . . . . 0.0 107.365 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.0 t -158.81 120.78 3.51 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -149.82 158.81 44.52 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.3 mt -50.29 -29.55 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.94 1.296 . . . . 0.0 111.328 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 m -50.83 -46.13 28.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 118.053 0.388 . . . . 0.0 110.935 178.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.5 t -66.23 -43.37 86.79 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.555 1.142 . . . . 0.0 109.457 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.548 ' CZ ' HD11 ' A' ' 17' ' ' LEU . 11.6 t80 -59.5 -45.86 90.48 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -63.78 -44.81 92.3 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 117.658 -1.163 . . . . 0.0 110.901 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.65 -33.53 70.2 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.457 1.026 . . . . 0.0 110.321 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -71.25 -50.45 32.69 Favored 'General case' 0 C--O 1.232 0.144 0 O-C-N 121.009 -1.057 . . . . 0.0 108.843 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.548 HD11 ' CZ ' ' A' ' 13' ' ' PHE . 60.6 mt -63.04 -34.85 78.45 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.478 0.711 . . . . 0.0 112.647 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.05 19.52 10.07 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 125.817 1.675 . . . . 0.0 109.661 -178.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 t -86.55 138.93 31.32 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 118.613 1.207 . . . . 0.0 109.989 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.83 -65.35 1.13 Allowed 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 125.102 1.361 . . . . 0.0 113.054 -178.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.33 -38.64 59.16 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -178.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -33.19 71.48 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 119.15 -1.02 . . . . 0.0 111.282 -178.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.0 -44.28 97.06 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.84 -42.32 97.55 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 123.787 0.679 . . . . 0.0 110.995 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -63.43 -54.45 36.32 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -55.91 -43.88 77.73 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.755 1.222 . . . . 0.0 113.832 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.5 p -68.91 -41.67 77.88 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.738 0.699 . . . . 0.0 110.503 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -33.92 76.93 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.281 0.946 . . . . 0.0 109.703 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -76.11 -18.32 59.21 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.702 0.683 . . . . 0.0 112.823 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.46 36.7 91.9 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 123.603 0.62 . . . . 0.0 112.733 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 pp -134.15 24.97 3.88 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.427 1.091 . . . . 0.0 112.974 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.05 119.07 25.03 Favored 'General case' 0 CA--C 1.519 -0.224 0 O-C-N 120.844 -1.16 . . . . 0.0 109.779 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.84 147.3 21.38 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.2 mm -79.09 -46.93 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 125.058 1.343 . . . . 0.0 109.975 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -58.59 -28.88 65.98 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.575 1.55 . . . . 0.0 110.943 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -82.68 -45.33 14.61 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.365 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.5 pt -60.87 -20.0 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-N 120.344 1.429 . . . . 0.0 111.478 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -60.81 -33.82 73.59 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.076 0.951 . . . . 0.0 108.693 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -113.15 -22.34 10.56 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 117.445 -1.264 . . . . 0.0 113.279 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -62.3 109.58 1.38 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 120.178 1.354 . . . . 0.0 109.516 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 m -74.25 173.31 10.36 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 122.145 0.974 . . . . 0.0 111.902 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.7 mmt -53.92 -36.97 63.32 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.224 1.41 . . . . 0.0 113.338 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.66 -43.04 97.9 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.457 0.703 . . . . 0.0 112.467 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -45.29 70.58 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.4 mt -57.1 -43.54 82.34 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.9 92.93 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.906 -0.496 . . . . 0.0 110.74 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -63.58 -31.38 72.52 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.358 0.663 . . . . 0.0 109.395 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.97 23.09 0.14 Allowed 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.742 -1.223 . . . . 0.0 110.684 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? 68.25 22.67 8.05 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.544 1.938 . . . . 0.0 112.29 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.5 mt -96.52 106.93 32.99 Favored Pre-proline 0 CA--C 1.548 0.896 0 O-C-N 120.5 -1.375 . . . . 0.0 109.446 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.84 147.4 74.81 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.331 2.688 . . . . 0.0 110.153 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -42.34 -45.15 4.17 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.349 1.86 . . . . 0.0 114.3 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -55.18 -35.82 65.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.963 1.305 . . . . 0.0 113.283 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -105.35 -31.27 9.13 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.982 0.513 . . . . 0.0 110.046 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -57.16 -40.13 76.63 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.049 -1.657 . . . . 0.0 108.506 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -66.47 -25.91 66.94 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.379 -0.826 . . . . 0.0 109.17 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.61 -56.45 8.19 Favored 'General case' 0 C--N 1.341 0.207 0 O-C-N 120.37 -1.456 . . . . 0.0 109.329 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.4 tt -56.07 -51.13 65.42 Favored 'Isoleucine or valine' 0 C--N 1.342 0.275 0 CA-C-N 118.824 0.738 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.62 -51.55 68.02 Favored 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 124.007 0.817 . . . . 0.0 110.82 -177.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -43.29 80.78 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 119.857 1.208 . . . . 0.0 109.403 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.37 -50.79 63.27 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-N 118.16 0.436 . . . . 0.0 113.196 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.5 tp -71.98 -37.33 60.49 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 118.935 -0.555 . . . . 0.0 111.845 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.32 -32.63 73.42 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.84 -38.24 70.15 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -63.91 -56.83 12.36 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 124.339 1.055 . . . . 0.0 109.058 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.12 -25.41 67.76 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 117.709 -1.139 . . . . 0.0 110.811 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -81.07 -23.09 38.72 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 120.224 1.374 . . . . 0.0 110.841 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.7 mt -107.38 -4.99 18.0 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -134.84 167.09 21.52 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.401 1.48 . . . . 0.0 107.39 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 C--O 1.25 1.113 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 -179.749 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.877 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.55 -21.05 19.84 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.667 2.245 . . . . 0.0 113.418 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.2 mp 49.62 38.02 14.02 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.428 1.491 . . . . 0.0 110.274 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.16 90.34 1.41 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 126.375 1.941 . . . . 0.0 112.89 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -165.91 159.53 15.91 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 126.772 2.029 . . . . 0.0 106.256 177.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.4 t -127.46 149.54 50.06 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -162.09 169.75 20.38 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 124.555 1.142 . . . . 0.0 108.421 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.6 m -99.27 113.33 25.55 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 105.661 -1.977 . . . . 0.0 105.661 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 m -149.13 178.14 8.99 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 126.065 1.746 . . . . 0.0 106.868 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.4 mm -50.17 -25.89 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 117.94 -1.029 . . . . 0.0 112.033 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.1 m -54.01 -51.57 44.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 119.125 0.875 . . . . 0.0 110.394 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.6 m -63.17 -42.79 99.46 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 124.357 1.063 . . . . 0.0 110.445 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -62.67 -47.03 85.43 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 121.069 0.461 . . . . 0.0 110.06 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -66.83 -36.75 83.07 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.372 1.069 . . . . 0.0 110.446 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.14 -41.96 84.86 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -70.74 -40.23 72.84 Favored 'General case' 0 C--N 1.345 0.409 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.6 mt -69.94 -25.29 63.59 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.548 0.739 . . . . 0.0 112.603 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.61 7.86 57.63 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 126.675 2.083 . . . . 0.0 110.033 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.4 m -70.12 111.08 5.52 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 117.659 0.73 . . . . 0.0 110.559 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.9 m -87.93 -92.09 0.11 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.006 1.722 . . . . 0.0 112.007 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 m -52.45 -29.72 26.06 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 120.386 1.448 . . . . 0.0 113.615 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.5 m -63.47 -33.47 75.65 Favored 'General case' 0 N--CA 1.444 -0.773 0 O-C-N 120.974 -1.079 . . . . 0.0 111.719 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.38 -40.98 77.08 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -57.19 -51.15 70.47 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.708 1.203 . . . . 0.0 108.908 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -55.49 -53.65 53.65 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -56.65 -44.56 81.43 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.3 p -56.96 -50.32 72.98 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 118.604 -0.712 . . . . 0.0 110.149 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.3 m -63.53 -37.89 89.03 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.273 1.029 . . . . 0.0 111.112 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -66.56 -20.68 66.07 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.7 39.68 95.42 Favored Glycine 0 C--N 1.339 0.706 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 pp -138.9 26.88 2.45 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.33 117.95 23.91 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.12 148.85 22.42 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 177.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.2 mm -78.95 -56.01 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 124.017 0.927 . . . . 0.0 112.933 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -65.31 -13.03 57.54 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 124.937 1.295 . . . . 0.0 114.104 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -85.67 -49.52 7.91 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 117.839 -1.077 . . . . 0.0 108.368 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.628 HG21 HD11 ' A' ' 58' ' ' ILE . 23.4 pt -61.73 -22.15 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 119.922 1.237 . . . . 0.0 110.8 178.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.8 -25.45 67.24 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.234 1.414 . . . . 0.0 109.79 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -113.03 -22.3 10.64 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.542 1.537 . . . . 0.0 111.73 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -78.27 94.32 4.78 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 m -67.82 -177.31 0.78 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.482 1.513 . . . . 0.0 110.827 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -46.77 40.11 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.165 1.386 . . . . 0.0 112.998 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -63.88 -35.54 80.99 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 118.899 -0.572 . . . . 0.0 112.48 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.87 -43.86 64.76 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 120.059 1.3 . . . . 0.0 109.723 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.8 mp -62.43 -44.99 95.11 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.49 -44.22 97.48 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.5 t -63.83 -24.7 67.85 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.386 1.074 . . . . 0.0 110.311 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.7 mt -80.99 12.97 2.94 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 119.917 -1.739 . . . . 0.0 109.775 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.18 12.74 8.89 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 128.73 2.812 . . . . 0.0 112.157 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.3 mm -76.35 122.44 86.74 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 123.751 0.82 . . . . 0.0 108.867 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.0 152.28 45.92 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.242 2.628 . . . . 0.0 109.432 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -30.66 68.77 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.208 -0.932 . . . . 0.0 113.033 -179.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -60.4 -13.41 13.2 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.804 1.642 . . . . 0.0 113.346 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -131.45 -39.66 1.14 Allowed 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.699 1.199 . . . . 0.0 110.38 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -33.7 61.06 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 119.844 1.202 . . . . 0.0 109.714 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -62.83 -39.37 94.13 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 119.033 -0.508 . . . . 0.0 111.213 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.76 -51.03 53.81 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 118.948 -0.548 . . . . 0.0 112.424 -177.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.628 HD11 HG21 ' A' ' 37' ' ' ILE . 2.2 tt -57.29 -51.01 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 O-C-N 123.776 0.673 . . . . 0.0 109.687 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -67.38 -53.16 31.75 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -56.21 -41.84 76.26 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 123.412 0.685 . . . . 0.0 109.37 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.97 -48.22 87.38 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 124.088 0.851 . . . . 0.0 112.299 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.3 tp -70.16 -44.36 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.74 0 CA-C-N 118.492 1.146 . . . . 0.0 110.313 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.13 -32.21 72.77 Favored 'General case' 0 C--O 1.219 -0.521 0 O-C-N 124.137 0.898 . . . . 0.0 109.156 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -71.63 -45.6 61.57 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -59.53 -56.44 21.88 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.973 1.709 . . . . 0.0 109.652 -178.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -31.51 72.77 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -77.26 -12.27 59.93 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 118.974 0.806 . . . . 0.0 110.831 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.9 mt -111.1 -7.79 14.47 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.127 1.371 . . . . 0.0 113.436 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -147.32 113.37 5.82 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.666 1.586 . . . . 0.0 107.098 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.5 t0 . . . . . 0 C--O 1.252 1.194 0 C-N-CA 125.561 1.544 . . . . 0.0 108.97 179.788 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.544 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -73.45 4.93 3.53 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 123.703 2.935 . . . . 0.0 112.319 178.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 23.21 93.78 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.321 1 C-N-CA 132.706 4.402 . . . . 0.0 115.398 178.577 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.88 49.63 73.8 Favored Glycine 0 CA--C 1.523 0.569 0 CA-C-O 119.334 -0.703 . . . . 0.0 114.423 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 p -79.97 -97.3 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.3 m -76.45 118.0 18.68 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 106.881 -1.525 . . . . 0.0 106.881 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -130.58 27.76 4.96 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 127.298 2.239 . . . . 0.0 109.338 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 96.3 m -69.87 56.68 0.14 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.215 2.206 . . . . 0.0 112.577 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.0 t -155.71 147.9 23.57 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.4 mt -52.81 -20.59 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 126.235 1.814 . . . . 0.0 112.063 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.5 m -50.07 -47.41 24.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 118.614 0.643 . . . . 0.0 111.555 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 t -71.81 -37.51 70.35 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -63.94 -49.59 71.98 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 121.359 0.599 . . . . 0.0 109.579 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -62.19 -40.73 97.04 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.403 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.82 -35.58 76.89 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 124.021 0.826 . . . . 0.0 109.555 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -76.8 -34.05 57.97 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.005 -1.06 . . . . 0.0 111.769 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.9 mt -71.05 -51.77 23.38 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.75 0.23 2.05 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.098 1.333 . . . . 0.0 112.258 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 159.88 23.71 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 119.638 1.719 . . . . 0.0 111.918 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.5 p -140.82 -87.11 0.18 Allowed 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.94 0.896 . . . . 0.0 109.505 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -54.14 -31.25 51.88 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.314 0.961 . . . . 0.0 112.483 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.5 m -69.01 -27.91 66.11 Favored 'General case' 0 C--N 1.341 0.221 0 O-C-N 120.928 -1.107 . . . . 0.0 111.796 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.06 -41.68 70.4 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 178.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -60.1 -34.72 73.88 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.082 1.353 . . . . 0.0 110.445 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -69.43 -53.93 16.89 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.49 -42.78 71.14 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 125.234 1.414 . . . . 0.0 113.522 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.7 p -67.48 -52.53 38.13 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.338 1.055 . . . . 0.0 109.592 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.8 m -63.99 -25.24 68.04 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 118.994 -0.527 . . . . 0.0 112.226 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -81.03 -7.06 59.48 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.059 0.944 . . . . 0.0 111.233 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 57.38 33.53 66.14 Favored Glycine 0 C--N 1.336 0.549 0 C-N-CA 126.612 2.053 . . . . 0.0 112.969 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 pp -128.26 20.63 6.27 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.678 1.191 . . . . 0.0 113.479 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -87.21 116.64 25.43 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 121.473 -0.767 . . . . 0.0 110.815 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -156.32 148.02 22.82 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.1 mm -79.3 -53.06 14.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 123.001 1.381 . . . . 0.0 110.783 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -57.21 -30.23 64.39 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 127.315 2.246 . . . . 0.0 111.809 -177.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -80.18 -47.96 13.89 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 117.948 -1.025 . . . . 0.0 109.688 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.8 pt -60.58 -31.3 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 120.426 1.466 . . . . 0.0 110.441 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -57.54 -39.76 77.32 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -94.25 -23.18 17.97 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -76.78 107.41 9.08 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.306 0.957 . . . . 0.0 109.004 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -69.57 172.76 6.87 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.079 0.466 . . . . 0.0 110.305 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.5 mtp -52.28 -37.04 54.42 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -67.44 -34.64 77.61 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.2 -36.37 82.9 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.0 mt -64.34 -41.2 96.9 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.68 92.66 Favored 'General case' 0 C--N 1.34 0.174 0 O-C-N 121.741 -0.599 . . . . 0.0 109.539 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 t -59.7 -39.98 86.39 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.9 mt -69.94 13.4 0.15 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.315 0.646 . . . . 0.0 111.757 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm 69.73 9.57 7.23 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 129.519 3.128 . . . . 0.0 113.53 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.6 mm -65.07 124.48 86.89 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 123.95 0.9 . . . . 0.0 110.665 -178.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.85 135.79 36.49 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.853 2.369 . . . . 0.0 108.711 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.21 -29.84 15.42 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -178.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -52.42 63.61 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.391 0.996 . . . . 0.0 109.919 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -84.62 -43.49 14.38 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.222 1.009 . . . . 0.0 110.78 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -40.49 68.77 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 119.962 1.255 . . . . 0.0 111.326 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -68.26 -26.2 65.56 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.798 -0.564 . . . . 0.0 109.941 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.56 -49.83 24.38 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 120.385 -1.447 . . . . 0.0 110.646 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.68 -51.17 76.22 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -56.16 -52.65 63.6 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 124.559 1.162 . . . . 0.0 110.05 -178.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -54.08 -42.85 69.8 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.861 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.19 -50.79 61.75 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 118.6 0.636 . . . . 0.0 114.293 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.0 tp -71.09 -40.27 75.26 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.569 0 O-C-N 121.196 -1.179 . . . . 0.0 111.84 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.39 -33.8 74.28 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.45 -32.11 64.17 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.395 1.878 . . . . 0.0 111.43 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -66.51 -54.16 26.93 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.471 ' HG2' ' N ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -70.8 -35.48 72.57 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 118.861 -1.136 . . . . 0.0 110.292 179.763 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.471 ' N ' ' HG2' ' A' ' 66' ' ' ARG . 22.9 tt0 -56.72 -34.23 67.29 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.664 0.603 . . . . 0.0 110.53 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.3 mt -96.93 -19.68 18.64 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 116.794 -1.574 . . . . 0.0 113.636 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -131.58 104.34 6.89 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 120.87 1.668 . . . . 0.0 109.443 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.3 t0 . . . . . 0 C--O 1.251 1.139 0 C-N-CA 127.683 2.393 . . . . 0.0 107.028 179.562 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.543 0 N-CA-C 108.526 -1.83 . . . . 0.0 108.526 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -72.16 -28.58 15.48 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.985 2.457 . . . . 0.0 116.083 -178.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 42.54 32.82 0.39 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.995 1.718 . . . . 0.0 113.952 -178.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.23 -171.41 19.22 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 126.381 1.943 . . . . 0.0 109.776 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -134.71 151.64 51.15 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.598 1.159 . . . . 0.0 110.374 -178.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -148.37 71.8 1.18 Allowed 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.98 -36.42 62.9 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.958 1.303 . . . . 0.0 112.14 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.4 m -145.51 108.27 4.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.261 1.424 . . . . 0.0 107.416 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.9 t -159.54 173.76 15.66 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 126.496 1.918 . . . . 0.0 106.191 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.495 HD11 ' CD1' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -51.8 -28.19 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 117.388 -1.291 . . . . 0.0 112.721 -179.166 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 m -51.43 -46.75 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 119.259 0.936 . . . . 0.0 110.93 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 t -62.66 -45.47 92.64 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 123.635 0.774 . . . . 0.0 109.292 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.445 ' HB3' HD13 ' A' ' 10' ' ' ILE . 49.1 t80 -66.4 -43.66 85.21 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.735 -178.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.494 ' CE2' HD12 ' A' ' 10' ' ' ILE . 3.8 m-30 -63.55 -39.95 95.74 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 120.937 -1.102 . . . . 0.0 111.37 -179.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.29 98.56 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -65.19 -38.11 89.45 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-O 118.818 -0.611 . . . . 0.0 111.104 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.2 mt -65.83 -34.16 77.52 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.779 0.718 . . . . 0.0 109.603 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.81 18.03 33.59 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 125.635 1.588 . . . . 0.0 109.173 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . 0.261 31.4 p -75.72 160.66 29.81 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 118.957 1.378 . . . . 0.0 110.845 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -124.57 -87.69 0.61 Allowed 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.907 -178.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.5 p -52.38 -28.62 20.38 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 120.397 1.453 . . . . 0.0 113.22 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.9 m -64.28 -41.42 96.9 Favored 'General case' 0 N--CA 1.442 -0.861 0 O-C-N 121.57 -0.706 . . . . 0.0 110.614 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.06 -37.53 81.4 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 117.082 -1.437 . . . . 0.0 108.671 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -61.73 -51.06 69.91 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 125.411 1.484 . . . . 0.0 110.194 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -59.36 -47.52 85.1 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -55.94 -52.82 62.79 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.8 t -64.47 -39.25 93.45 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 118.794 0.725 . . . . 0.0 110.988 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.6 m -64.11 -29.48 70.6 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 118.78 0.718 . . . . 0.0 109.931 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -84.62 -26.43 27.88 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.88 -1.137 . . . . 0.0 111.449 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.9 38.98 75.6 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 124.73 1.157 . . . . 0.0 112.72 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.25 26.3 5.44 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.64 1.576 . . . . 0.0 111.749 -179.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.8 119.03 24.84 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.52 147.53 22.05 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 177.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.3 mm -79.27 -52.54 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-O 122.782 1.277 . . . . 0.0 109.897 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -56.21 -30.55 62.46 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 126.536 1.934 . . . . 0.0 112.451 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -74.05 -50.29 20.37 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 117.798 -1.096 . . . . 0.0 110.853 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.495 ' CD1' HD11 ' A' ' 10' ' ' ILE . 39.8 pt -62.47 -19.62 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 119.921 1.237 . . . . 0.0 112.943 -179.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.96 -23.04 65.01 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -114.31 -23.56 9.35 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.839 1.255 . . . . 0.0 112.159 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -81.51 90.75 6.26 Favored 'General case' 0 C--N 1.34 0.176 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 178.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.0 m -70.58 176.79 3.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.631 0.772 . . . . 0.0 110.283 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.3 ptp -48.84 -27.19 2.85 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -69.66 -50.51 43.35 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 119.501 1.046 . . . . 0.0 111.159 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.56 -41.76 92.57 Favored 'General case' 0 CA--C 1.517 -0.292 0 O-C-N 121.499 -0.751 . . . . 0.0 109.367 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.19 -38.72 84.11 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.18 -50.73 71.95 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 t -59.01 -24.8 63.11 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 124.583 1.153 . . . . 0.0 112.233 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.2 mt -81.65 20.08 0.97 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.303 1.041 . . . . 0.0 111.401 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.44 23.94 14.13 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 127.669 2.388 . . . . 0.0 112.337 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.4 mm -84.7 115.58 61.36 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.42 149.06 62.1 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.984 1.789 . . . . 0.0 109.224 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -56.38 -30.65 62.97 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -55.48 -20.37 12.54 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 128.196 2.598 . . . . 0.0 112.214 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -126.0 -44.26 1.78 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.609 1.563 . . . . 0.0 108.711 178.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -47.3 -51.67 18.51 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.413 1.485 . . . . 0.0 112.79 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.94 -32.67 73.11 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.764 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.89 -52.36 44.23 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 119.809 1.186 . . . . 0.0 111.654 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -53.48 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.72 -45.72 81.71 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.051 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -58.82 -40.39 84.01 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.36 -50.9 62.15 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 124.267 0.936 . . . . 0.0 113.001 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.4 tt -73.69 -42.96 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.719 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.307 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.22 -32.51 68.37 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -73.72 -38.41 64.81 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.28 1.432 . . . . 0.0 111.026 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -67.84 -56.87 7.49 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -33.22 74.09 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 118.111 -0.947 . . . . 0.0 109.739 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -69.79 -34.1 73.27 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.993 1.27 . . . . 0.0 110.419 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.2 mt -92.46 -5.7 51.38 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.412 0.685 . . . . 0.0 112.753 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -134.51 -135.46 0.16 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.456 1.503 . . . . 0.0 108.124 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.871 0 C-N-CA 129.926 3.29 . . . . 0.0 105.969 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.511 0 N-CA-C 108.735 -1.746 . . . . 0.0 108.735 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.87 121.7 9.49 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 122.513 2.142 . . . . 0.0 109.383 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -163.71 153.86 15.29 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 126.726 2.01 . . . . 0.0 107.773 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.52 176.49 42.27 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 108.044 -2.023 . . . . 0.0 108.044 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 t -144.05 -177.22 5.34 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.304 1.042 . . . . 0.0 109.757 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.3 t -162.01 153.9 18.99 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 126.866 2.066 . . . . 0.0 106.798 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -62.5 -58.11 8.78 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.007 1.323 . . . . 0.0 108.746 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.3 t -138.07 154.55 49.25 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.254 1.822 . . . . 0.0 109.883 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.7 t 176.08 160.13 0.3 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 128.234 2.614 . . . . 0.0 106.035 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.9 mt -60.33 -21.48 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 124.915 1.286 . . . . 0.0 109.569 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.3 m -49.52 -48.33 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 119.318 0.963 . . . . 0.0 112.172 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.2 t -67.14 -38.59 85.77 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -62.34 -43.8 97.99 Favored 'General case' 0 C--N 1.342 0.257 0 O-C-N 121.546 -0.721 . . . . 0.0 109.246 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.487 ' CZ ' HD12 ' A' ' 58' ' ' ILE . 4.8 m-30 -62.86 -36.0 81.84 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 117.521 -1.228 . . . . 0.0 109.874 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.68 91.1 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -74.68 -36.23 62.79 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.811 -0.556 . . . . 0.0 111.549 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.4 mt -70.54 -41.47 72.46 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 121.717 -0.614 . . . . 0.0 111.14 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.2 5.62 21.22 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.982 1.753 . . . . 0.0 110.845 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.9 m -66.52 140.95 58.02 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.157 1.479 . . . . 0.0 108.283 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.4 p -118.9 -83.06 0.65 Allowed 'General case' 0 C--O 1.232 0.159 0 C-N-CA 123.551 0.74 . . . . 0.0 111.611 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.88 -27.78 60.97 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.105 1.362 . . . . 0.0 112.855 -179.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.1 m -71.58 -28.19 63.66 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 118.264 -0.874 . . . . 0.0 112.429 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.6 -41.5 79.48 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -59.64 -44.58 93.45 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.093 1.757 . . . . 0.0 108.962 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -59.53 -51.38 70.08 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -58.39 -50.24 74.39 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.766 1.226 . . . . 0.0 113.5 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.0 p -60.89 -39.71 90.31 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 118.903 0.774 . . . . 0.0 109.578 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.8 m -65.6 -36.79 84.76 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.926 -0.484 . . . . 0.0 109.828 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -75.39 -18.57 59.9 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.02 0.827 . . . . 0.0 112.761 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.43 37.8 86.17 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 123.944 0.783 . . . . 0.0 112.995 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.57 20.72 3.34 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -178.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.5 119.39 25.8 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 119.716 1.144 . . . . 0.0 109.349 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.94 147.06 22.37 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 mt -79.33 -54.37 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 123.512 1.625 . . . . 0.0 111.83 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -59.96 -16.77 32.88 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 127.513 2.325 . . . . 0.0 113.681 -177.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -90.39 -50.33 6.02 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 118.195 -0.907 . . . . 0.0 109.574 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.2 pt -60.72 -26.48 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 119.062 0.846 . . . . 0.0 111.631 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -57.49 -28.13 63.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.624 0.77 . . . . 0.0 110.41 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -114.7 -22.12 9.87 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.282 1.033 . . . . 0.0 112.945 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -73.9 105.83 5.34 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 120.05 1.295 . . . . 0.0 108.705 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 m -71.29 176.5 4.52 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.001 1.72 . . . . 0.0 113.048 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.2 mmt -55.67 -33.41 64.08 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.256 -0.902 . . . . 0.0 112.431 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -46.75 88.51 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 124.218 1.007 . . . . 0.0 109.791 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.51 -41.51 96.36 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 mt -61.97 -44.32 97.0 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.59 96.0 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.1 t -64.44 -38.24 90.34 Favored 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 122.309 -0.244 . . . . 0.0 110.517 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 mt -74.9 20.98 0.12 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.949 1.7 . . . . 0.0 111.931 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.1 tptm 66.15 9.68 6.48 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 126.727 2.011 . . . . 0.0 113.547 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.6 mm -75.5 120.25 80.81 Favored Pre-proline 0 CA--C 1.544 0.745 0 CA-C-N 119.644 1.111 . . . . 0.0 109.726 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -70.57 144.11 48.83 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.763 2.308 . . . . 0.0 109.724 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -51.12 -39.03 55.3 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.975 0.91 . . . . 0.0 113.353 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -55.09 -25.94 34.7 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.826 2.051 . . . . 0.0 113.205 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -119.46 -40.34 2.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.9 0.88 . . . . 0.0 110.69 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -52.86 -38.45 61.53 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 119.736 1.153 . . . . 0.0 110.338 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -62.87 -32.5 73.76 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 118.608 -0.711 . . . . 0.0 110.526 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.33 -51.0 33.38 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 120.013 1.279 . . . . 0.0 110.915 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.487 HD12 ' CZ ' ' A' ' 14' ' ' PHE . 1.9 tt -61.39 -52.9 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -58.17 -55.32 36.52 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 124.067 0.854 . . . . 0.0 112.283 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -55.81 -39.02 70.74 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.276 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.75 -50.88 62.91 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 124.069 0.842 . . . . 0.0 112.754 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.456 ' O ' ' HD2' ' A' ' 66' ' ' ARG . 10.9 tp -68.29 -43.09 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-N 118.127 0.964 . . . . 0.0 110.492 -178.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -59.59 -34.07 72.27 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.394 0.616 . . . . 0.0 109.556 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -73.64 -31.33 63.45 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 126.096 1.758 . . . . 0.0 111.03 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -67.71 -54.54 18.55 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.456 ' HD2' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -69.25 -31.22 69.62 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 116.85 -1.94 . . . . 0.0 110.764 178.766 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -54.4 -47.69 72.46 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 mp -76.37 -55.17 5.8 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 118.355 -0.831 . . . . 0.0 111.497 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . 0.261 68.2 t60 47.65 27.98 1.15 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 128.405 2.682 . . . . 0.0 111.965 -177.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 128.89 2.876 . . . . 0.0 108.291 178.504 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.838 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -74.88 -172.73 1.32 Allowed 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 124.759 3.639 . . . . 0.0 110.18 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -62.44 154.55 28.03 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.35 150.55 13.56 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 -178.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 m -121.85 107.2 12.02 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 121.484 -1.01 . . . . 0.0 111.04 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.6 p -135.27 154.07 51.68 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 126.657 1.983 . . . . 0.0 106.165 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -161.86 149.44 14.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.6 m -134.02 81.57 1.93 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.017 0.527 . . . . 0.0 110.079 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.7 m -123.69 167.02 14.54 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 127.172 2.189 . . . . 0.0 107.373 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.506 HD11 HD13 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -52.27 -31.44 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 119.421 1.01 . . . . 0.0 112.731 -179.293 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 m -52.46 -49.25 44.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 124.095 0.872 . . . . 0.0 110.634 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.6 m -64.73 -41.74 95.72 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.354 0.662 . . . . 0.0 110.14 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -64.37 -43.99 92.76 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.585 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.432 ' CE2' HD12 ' A' ' 10' ' ' ILE . 3.5 m-30 -63.79 -37.18 86.4 Favored 'General case' 0 C--O 1.238 0.488 0 O-C-N 120.748 -1.22 . . . . 0.0 111.066 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.62 90.76 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -61.48 -40.07 93.22 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.639 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.68 -42.56 99.69 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.692 1.133 . . . . 0.0 109.898 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.88 21.81 10.76 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 125.992 1.758 . . . . 0.0 110.073 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 p -77.25 172.22 13.61 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.021 1.41 . . . . 0.0 111.606 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.9 p -135.12 -87.05 0.37 Allowed 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 124.02 0.928 . . . . 0.0 109.199 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 p -52.97 -29.09 26.91 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.132 1.373 . . . . 0.0 112.381 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.0 m -67.44 -38.38 84.42 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 121.343 -0.848 . . . . 0.0 110.673 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.46 -38.01 77.56 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 117.682 -1.151 . . . . 0.0 108.715 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.5 -50.67 73.01 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 126.659 1.984 . . . . 0.0 109.239 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -63.85 -47.09 82.12 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 118.525 -0.75 . . . . 0.0 109.528 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -54.81 -49.83 70.04 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.659 1.118 . . . . 0.0 111.586 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.0 t -62.25 -38.35 88.92 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.503 1.047 . . . . 0.0 110.003 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.5 m -65.06 -26.4 68.23 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.941 0.897 . . . . 0.0 110.331 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -89.87 -26.69 20.36 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.898 -1.126 . . . . 0.0 110.253 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.04 37.93 83.43 Favored Glycine 0 C--N 1.339 0.697 0 CA-C-N 118.987 0.812 . . . . 0.0 111.762 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 pp -132.16 25.42 4.55 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.628 1.171 . . . . 0.0 112.181 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.95 117.89 24.21 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 -178.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.404 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -157.62 148.59 21.31 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 121.717 -0.614 . . . . 0.0 109.467 178.015 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.9 mm -77.86 -54.72 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 121.81 0.814 . . . . 0.0 110.96 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -59.62 -12.8 7.4 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 128.077 2.551 . . . . 0.0 113.719 -177.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.404 ' HB2' HG23 ' A' ' 33' ' ' THR . 86.8 mm-40 -97.33 -42.69 7.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 118.096 -0.954 . . . . 0.0 112.244 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.506 HD13 HD11 ' A' ' 10' ' ' ILE . 27.4 pt -63.87 -14.92 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 120.29 1.404 . . . . 0.0 112.57 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -76.24 -25.73 55.31 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.445 0.566 . . . . 0.0 109.673 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -107.28 -22.51 12.57 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 124.167 0.987 . . . . 0.0 111.593 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -80.97 101.26 9.39 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 102.341 -3.207 . . . . 0.0 102.341 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 m -69.79 176.21 3.78 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.388 0.613 . . . . 0.0 112.054 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.7 mtt -52.01 -36.83 51.29 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -70.13 -32.31 70.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.296 0.953 . . . . 0.0 111.249 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.52 -42.48 78.45 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 178.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.33 -31.49 72.12 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.58 -47.88 81.87 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.2 m -59.44 -28.69 67.19 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.405 1.082 . . . . 0.0 111.717 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.9 mt -78.59 12.85 1.84 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.148 0.979 . . . . 0.0 111.473 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.1 48.7 10.26 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 125.953 1.701 . . . . 0.0 110.768 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.0 mm -107.67 118.28 53.56 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -67.64 142.33 58.12 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.307 2.004 . . . . 0.0 108.095 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -48.3 -39.31 21.32 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.179 1.392 . . . . 0.0 114.634 -178.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -54.98 -52.8 61.97 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 125.091 1.356 . . . . 0.0 111.27 -177.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -82.71 -40.1 21.06 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 118.582 -0.723 . . . . 0.0 109.727 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -48.84 -48.36 41.83 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 124.534 1.134 . . . . 0.0 110.404 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -62.91 -25.3 68.26 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 118.701 -0.666 . . . . 0.0 111.157 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.11 -56.45 5.09 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 120.73 1.604 . . . . 0.0 109.717 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.409 HD12 ' CZ ' ' A' ' 14' ' ' PHE . 1.2 tt -56.83 -54.32 31.09 Favored 'Isoleucine or valine' 0 C--N 1.338 0.1 0 C-N-CA 124.119 0.967 . . . . 0.0 109.862 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -51.28 70.12 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 123.689 0.618 . . . . 0.0 110.822 -177.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -41.21 79.06 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.784 178.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.11 -50.75 64.51 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 124.344 0.974 . . . . 0.0 113.422 -178.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 5.9 tp -73.82 -38.99 51.71 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 CA-C-N 118.471 1.135 . . . . 0.0 112.187 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.95 -32.98 74.7 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -72.72 -39.37 67.0 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.455 1.102 . . . . 0.0 110.631 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -62.13 -55.43 28.92 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.123 1.369 . . . . 0.0 107.852 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -30.79 71.37 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.67 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -71.6 -20.91 61.92 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 117.975 -1.012 . . . . 0.0 113.274 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.0 mt -108.72 -34.11 6.79 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 47.8 t60 38.02 39.66 0.26 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 129.758 3.223 . . . . 0.0 114.062 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 C--O 1.249 1.052 0 C-N-CA 124.535 1.134 . . . . 0.0 107.942 179.13 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.616 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.87 -20.66 34.01 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 123.181 2.587 . . . . 0.0 113.089 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -79.84 176.56 9.62 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.603 1.561 . . . . 0.0 111.179 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.61 175.39 54.88 Favored Glycine 0 CA--C 1.523 0.583 0 CA-C-O 122.141 0.856 . . . . 0.0 112.112 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -147.18 72.68 1.27 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.1 m -140.75 77.59 1.61 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 104.654 -2.35 . . . . 0.0 104.654 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -94.57 -29.18 15.02 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 124.838 1.255 . . . . 0.0 108.237 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.29 144.95 42.92 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 127.791 2.436 . . . . 0.0 105.049 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.7 t -179.33 155.85 0.72 Allowed 'General case' 0 C--O 1.24 0.571 0 C-N-CA 128.054 2.541 . . . . 0.0 104.144 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.8 mt -55.59 -23.82 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-O 118.508 -0.758 . . . . 0.0 111.524 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.1 m -49.85 -48.19 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 119.201 0.91 . . . . 0.0 111.042 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.2 m -65.49 -44.28 87.57 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 124.488 1.115 . . . . 0.0 110.793 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -62.22 -47.72 83.17 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.387 0.613 . . . . 0.0 109.443 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.506 ' HE2' HD13 ' A' ' 58' ' ' ILE . 3.7 m-30 -60.53 -44.9 95.56 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 125.489 1.516 . . . . 0.0 111.076 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.61 -43.61 80.34 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.8 mtp-105 -65.35 -44.9 86.24 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-O 118.444 -0.788 . . . . 0.0 110.431 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.2 mt -62.71 -26.35 68.63 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.982 0.81 . . . . 0.0 110.973 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.36 5.98 45.27 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 125.762 1.649 . . . . 0.0 110.276 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.3 m -68.02 148.26 51.27 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.733 -0.863 . . . . 0.0 109.462 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.5 m -129.87 -87.34 0.52 Allowed 'General case' 0 C--O 1.226 -0.178 0 CA-C-O 117.087 -1.435 . . . . 0.0 110.06 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.9 m -53.23 -28.18 25.94 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 121.276 1.853 . . . . 0.0 114.421 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.6 t -65.55 -33.95 77.11 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.0 0.818 . . . . 0.0 110.147 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -40.58 87.77 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 117.086 -1.435 . . . . 0.0 107.498 179.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -62.79 -40.91 98.79 Favored 'General case' 0 C--O 1.232 0.176 0 O-C-N 124.778 1.299 . . . . 0.0 111.721 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -64.54 -48.68 74.18 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -58.03 -44.56 87.42 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.0 p -66.76 -44.67 80.78 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 123.725 0.81 . . . . 0.0 110.734 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.11 -32.78 74.43 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 118.807 0.73 . . . . 0.0 110.455 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -74.42 -16.77 60.86 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 122.031 -0.418 . . . . 0.0 110.328 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 59.38 39.99 95.49 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 127.666 2.555 . . . . 0.0 113.153 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.8 22.25 5.0 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 124.729 1.212 . . . . 0.0 113.288 -178.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 t -85.81 118.55 25.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.363 0.601 . . . . 0.0 109.401 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.98 146.94 22.21 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.1 mm -79.8 -47.46 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-O 122.429 1.109 . . . . 0.0 110.106 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -57.88 -16.24 11.24 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 129.312 3.045 . . . . 0.0 111.815 -177.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -97.67 -46.36 6.03 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.686 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.5 pt -60.92 -21.55 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 120.429 1.468 . . . . 0.0 112.84 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.58 -27.82 65.44 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.944 1.247 . . . . 0.0 110.129 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -109.0 -23.27 11.77 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 117.949 -1.024 . . . . 0.0 113.674 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -66.26 125.45 25.61 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 119.77 1.168 . . . . 0.0 108.969 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.9 m -93.97 177.05 6.11 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.485 0.66 . . . . 0.0 109.867 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -49.29 -28.02 4.39 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 116.128 1.899 . . . . 0.0 116.128 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.1 -50.28 64.61 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 119.062 0.846 . . . . 0.0 111.086 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.24 -39.97 94.61 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.584 -179.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.0 mt -59.99 -51.18 70.77 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.13 87.28 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.1 t -56.43 -39.27 72.82 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.331 1.452 . . . . 0.0 111.107 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.5 mt -83.79 22.81 1.07 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.968 1.707 . . . . 0.0 113.132 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? 66.93 27.65 8.85 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.998 1.719 . . . . 0.0 113.472 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.4 mm -104.66 91.07 3.84 Favored Pre-proline 0 CA--C 1.545 0.755 0 N-CA-C 105.176 -2.157 . . . . 0.0 105.176 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -76.06 163.07 33.6 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.553 2.168 . . . . 0.0 111.892 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -50.42 -26.76 5.37 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.274 1.43 . . . . 0.0 113.985 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -54.77 -30.94 58.01 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.848 1.659 . . . . 0.0 110.496 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -128.42 -36.28 1.9 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.076 1.351 . . . . 0.0 112.172 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.29 -38.88 28.83 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 126.947 2.099 . . . . 0.0 114.556 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -68.8 -31.04 69.75 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 117.869 -1.063 . . . . 0.0 109.976 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.4 -49.61 32.53 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.625 0.77 . . . . 0.0 111.099 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.506 HD13 ' HE2' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -59.94 -52.45 60.97 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -59.76 -47.28 86.32 Favored 'General case' 0 N--CA 1.441 -0.91 0 O-C-N 123.858 0.723 . . . . 0.0 111.022 -177.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -59.94 -39.74 86.57 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 117.424 -1.274 . . . . 0.0 109.754 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.83 -51.98 51.67 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 119.033 0.833 . . . . 0.0 114.428 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.7 tp -69.63 -37.67 74.77 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 O-C-N 121.499 -1.001 . . . . 0.0 111.886 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.432 ' CD1' ' HE ' ' A' ' 66' ' ' ARG . 3.8 mm? -65.42 -31.72 72.96 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 178.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -39.52 75.13 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 118.315 0.507 . . . . 0.0 111.439 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -61.18 -53.17 60.31 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.432 ' HE ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -70.0 -23.14 63.1 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 119.122 -1.031 . . . . 0.0 111.174 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -79.86 -18.14 51.46 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.116 0.871 . . . . 0.0 110.1 179.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.1 mt -117.9 -0.05 11.8 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.646 1.178 . . . . 0.0 113.722 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -137.17 -179.2 5.57 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 120.111 1.323 . . . . 0.0 111.368 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 130.281 3.433 . . . . 0.0 105.48 178.941 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.623 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.11 100.7 0.65 Allowed 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.552 2.168 . . . . 0.0 109.737 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.86 -27.86 69.09 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.474 0.71 . . . . 0.0 110.038 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.56 88.87 0.17 Allowed Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.925 1.25 . . . . 0.0 110.104 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 t -80.23 20.4 0.67 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.269 1.428 . . . . 0.0 110.383 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.01 158.62 43.77 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 129.63 3.172 . . . . 0.0 105.704 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -99.41 -94.65 0.25 Allowed 'General case' 0 C--O 1.239 0.54 0 N-CA-C 104.991 -2.226 . . . . 0.0 104.991 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 55.8 m -146.46 -175.79 4.92 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.983 1.713 . . . . 0.0 109.489 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -158.98 153.04 23.54 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 127.226 2.21 . . . . 0.0 105.044 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.512 HD13 ' HB3' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -58.68 -18.76 13.23 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.111 0 C-N-CA 124.258 1.023 . . . . 0.0 110.768 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.2 m -51.53 -49.0 34.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 119.254 0.933 . . . . 0.0 110.849 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.4 m -63.74 -41.47 98.02 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.823 1.249 . . . . 0.0 110.595 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.512 ' HB3' HD13 ' A' ' 10' ' ' ILE . 56.5 t80 -65.41 -49.55 68.8 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.988 -178.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.454 ' CE2' HD12 ' A' ' 10' ' ' ILE . 8.1 m-30 -59.67 -39.82 85.75 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.008 0.923 . . . . 0.0 110.546 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.92 -44.78 87.07 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -66.31 -43.03 87.38 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.913 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.9 mt -62.19 -26.58 68.43 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 118.714 0.688 . . . . 0.0 110.904 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.94 7.97 60.81 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 125.345 1.45 . . . . 0.0 110.287 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.7 p -84.44 132.25 34.58 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-O 118.969 -0.539 . . . . 0.0 109.885 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.553 ' HA ' HD23 ' A' ' 23' ' ' LEU . 17.2 m -122.14 -48.59 2.1 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 117.418 -1.277 . . . . 0.0 113.225 -179.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -57.37 -36.78 71.67 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 120.862 1.665 . . . . 0.0 110.354 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.7 m -69.98 -34.57 73.52 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.708 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' A' ' 20' ' ' SER . 0.3 OUTLIER -66.74 -40.45 88.35 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.53 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -59.47 -51.06 71.49 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 124.511 1.124 . . . . 0.0 109.083 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -62.93 -49.42 74.83 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -59.46 -45.16 92.4 Favored 'General case' 0 C--O 1.236 0.375 0 O-C-N 120.93 -1.107 . . . . 0.0 113.068 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.1 p -64.21 -45.27 89.0 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.2 m -62.31 -41.78 98.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 118.259 -0.876 . . . . 0.0 109.775 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -66.72 -27.59 67.75 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 120.349 1.431 . . . . 0.0 109.326 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.16 31.49 54.98 Favored Glycine 0 C--N 1.34 0.773 0 C-N-CA 124.319 0.961 . . . . 0.0 112.889 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.82 27.5 6.01 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.842 1.257 . . . . 0.0 113.243 -177.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.81 118.29 26.11 Favored 'General case' 0 C--O 1.236 0.389 0 O-C-N 121.13 -0.981 . . . . 0.0 109.612 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.446 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -156.36 149.02 23.76 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.05 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mt -80.41 -53.56 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-O 122.478 1.132 . . . . 0.0 111.617 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -57.7 -30.74 65.75 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 125.441 1.496 . . . . 0.0 112.246 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.446 ' HB2' HG23 ' A' ' 33' ' ' THR . 43.1 mm-40 -72.85 -52.14 16.02 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 118.645 -0.693 . . . . 0.0 109.703 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.511 ' CD1' HD11 ' A' ' 10' ' ' ILE . 47.4 pt -63.9 -16.51 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 119.244 0.929 . . . . 0.0 112.555 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -66.89 -27.59 67.63 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -114.21 -22.92 9.72 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-O 117.475 -1.25 . . . . 0.0 112.835 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -71.12 105.51 3.41 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 104.288 -2.486 . . . . 0.0 104.288 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 m -69.85 175.07 4.58 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 122.192 0.996 . . . . 0.0 112.114 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -50.91 -31.77 18.6 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.1 1.36 . . . . 0.0 113.593 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -71.55 -50.44 31.12 Favored 'General case' 0 CA--C 1.526 0.057 0 C-N-CA 125.392 1.477 . . . . 0.0 111.238 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -38.84 85.59 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 mp -58.96 -51.57 69.51 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.24 91.21 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.146 0.43 . . . . 0.0 110.811 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.4 t -61.49 -36.0 79.27 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.632 1.573 . . . . 0.0 111.583 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 mt -75.91 27.15 0.11 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.42 1.888 . . . . 0.0 111.829 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp 69.13 -2.75 1.71 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 128.768 2.827 . . . . 0.0 113.278 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.2 mm -65.51 125.1 88.96 Favored Pre-proline 0 CA--C 1.538 0.507 0 O-C-N 121.246 -0.909 . . . . 0.0 111.012 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -69.3 145.24 59.16 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.097 1.865 . . . . 0.0 108.935 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -51.7 -39.98 59.32 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -178.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -62.03 -44.58 96.4 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -82.02 -43.98 17.25 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 118.876 -0.583 . . . . 0.0 109.472 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -38.69 60.27 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.114 0.87 . . . . 0.0 110.298 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -63.24 -38.0 89.44 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.432 0.693 . . . . 0.0 110.442 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.93 -51.37 62.24 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 119.274 0.943 . . . . 0.0 111.105 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.0 tt -61.46 -53.91 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -58.18 -57.26 13.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.075 0.859 . . . . 0.0 110.761 -178.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -57.23 -37.09 71.75 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 119.06 0.845 . . . . 0.0 110.269 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.19 -50.96 61.94 Favored Glycine 0 CA--C 1.524 0.654 0 CA-C-N 118.856 0.753 . . . . 0.0 111.798 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.6 tt -71.86 -40.67 69.12 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.658 0 CA-C-N 118.342 1.071 . . . . 0.0 111.7 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.1 -35.22 73.05 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -73.92 -37.93 64.46 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.807 0.813 . . . . 0.0 111.208 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -63.59 -55.29 24.84 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -30.03 70.96 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 118.887 -0.578 . . . . 0.0 110.045 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -72.8 -21.66 60.95 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.448 1.022 . . . . 0.0 111.978 178.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.5 mt -113.35 -12.44 13.02 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.27 159.25 41.54 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.001 1.72 . . . . 0.0 109.796 -179.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 C--O 1.25 1.103 0 C-N-CA 126.884 2.074 . . . . 0.0 106.185 -179.159 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.89 0 CA-C-O 118.709 -1.051 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -62.72 -59.82 0.22 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.833 2.355 . . . . 0.0 108.229 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -94.17 150.98 19.82 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 104.652 -2.351 . . . . 0.0 104.652 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.71 38.04 0.08 OUTLIER Glycine 0 CA--C 1.525 0.689 0 C-N-CA 124.412 1.006 . . . . 0.0 112.867 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -61.95 -18.66 61.12 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.624 1.212 . . . . 0.0 113.973 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.9 p -109.51 171.02 7.69 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 123.959 0.904 . . . . 0.0 110.471 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -95.36 122.85 38.51 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.686 1.195 . . . . 0.0 108.757 -179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.3 p -144.26 -7.39 0.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.3 m -139.9 149.97 44.02 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 120.882 1.674 . . . . 0.0 109.819 -178.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 32' ' ' THR . 74.6 mt -49.26 -27.62 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 C-N-CA 125.46 1.504 . . . . 0.0 112.129 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 m -49.34 -47.05 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 119.454 1.025 . . . . 0.0 112.618 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 t -69.35 -41.14 76.99 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.423 0.63 . . . . 0.0 110.171 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -62.85 -46.84 86.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.467 0.651 . . . . 0.0 109.874 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -62.16 -37.5 85.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.965 1.306 . . . . 0.0 110.616 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.58 -45.81 88.28 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -62.65 -41.91 99.31 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 118.552 -0.737 . . . . 0.0 111.234 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.2 mt -62.91 -45.69 91.32 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.381 0.991 . . . . 0.0 109.829 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.04 30.88 5.85 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 125.168 1.366 . . . . 0.0 110.427 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.6 p -78.85 168.99 18.92 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.243 1.022 . . . . 0.0 109.262 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.3 m -133.32 -66.64 0.65 Allowed 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.196 0.453 . . . . 0.0 111.276 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.6 m -65.88 -32.9 74.68 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.252 0.549 . . . . 0.0 111.996 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.4 m -64.3 -42.28 96.46 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.059 0.944 . . . . 0.0 112.669 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -35.96 81.25 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 124.522 1.139 . . . . 0.0 110.136 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -63.43 -49.43 73.72 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -56.68 -54.38 46.76 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.942 0.776 . . . . 0.0 109.946 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -54.92 -52.03 64.2 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.1 p -61.17 -51.11 70.42 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.802 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.2 m -62.93 -36.17 82.53 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.306 0.957 . . . . 0.0 111.057 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -69.78 -17.69 63.44 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.19 0.904 . . . . 0.0 111.058 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.85 33.91 85.56 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 125.915 1.721 . . . . 0.0 112.984 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.74 21.67 8.33 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.037 1.335 . . . . 0.0 113.38 -177.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.437 ' HA ' HD12 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -84.8 119.21 25.05 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 121.442 -0.786 . . . . 0.0 108.904 -179.675 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -155.96 146.77 22.09 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 176.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.5 mm -79.44 -50.18 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-O 123.087 1.422 . . . . 0.0 111.326 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -60.1 -30.43 69.25 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.333 1.453 . . . . 0.0 111.531 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -76.2 -43.72 41.09 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 118.292 -0.861 . . . . 0.0 109.63 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.5 pt -64.92 -18.64 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 119.918 1.236 . . . . 0.0 111.999 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -72.38 -18.85 61.7 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -114.87 -24.56 8.6 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.308 0.958 . . . . 0.0 110.708 178.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -74.88 99.03 3.68 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.6 p -72.09 177.84 4.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.801 1.24 . . . . 0.0 112.682 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.8 ptm -53.01 -27.33 18.86 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.139 0.976 . . . . 0.0 113.552 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -75.9 -50.41 15.11 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.228 1.011 . . . . 0.0 111.024 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -34.24 77.28 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.6 mt -68.83 -49.06 61.62 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.58 -38.29 77.58 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.9 t -61.0 -39.46 89.79 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.441 1.496 . . . . 0.0 108.66 178.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.6 mt -71.57 13.01 0.28 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.506 1.522 . . . . 0.0 112.386 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? 73.76 8.54 4.91 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 129.083 2.953 . . . . 0.0 112.16 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.409 HG22 ' HB2' ' A' ' 55' ' ' ARG . 38.6 mm -70.39 114.34 25.25 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -67.26 145.04 70.85 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 121.388 1.392 . . . . 0.0 108.795 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -51.61 -35.11 40.3 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -58.18 -52.83 63.91 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.26 1.024 . . . . 0.0 109.653 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -76.96 -41.43 43.18 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.547 0.739 . . . . 0.0 110.147 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.409 ' HB2' HG22 ' A' ' 50' ' ' ILE . 8.0 tmm_? -48.15 -46.49 34.59 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.623 1.969 . . . . 0.0 111.15 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -62.38 -38.37 89.31 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.265 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.84 -50.04 72.51 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.903 1.229 . . . . 0.0 112.421 -178.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.0 tt -63.2 -54.17 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.648 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -62.3 -51.08 69.1 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 123.685 0.616 . . . . 0.0 112.347 -177.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -58.45 -41.52 85.31 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 117.993 -1.004 . . . . 0.0 109.363 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.04 -50.43 65.48 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 118.701 0.682 . . . . 0.0 112.169 -177.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.59 -42.64 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 CA-C-N 118.19 0.995 . . . . 0.0 111.677 -178.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.4 -34.95 79.11 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 118.937 -1.105 . . . . 0.0 108.674 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -72.04 -38.38 69.52 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.812 -0.555 . . . . 0.0 111.16 -178.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -66.38 -55.99 13.23 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 127.274 2.23 . . . . 0.0 109.193 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -31.05 72.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -75.02 -29.71 60.9 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 118.737 -1.185 . . . . 0.0 111.724 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.8 mt -89.03 -45.98 9.21 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.976 1.262 . . . . 0.0 113.494 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.9 t60 44.21 44.06 6.23 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 127.972 2.509 . . . . 0.0 111.019 -178.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--O 1.246 0.889 0 C-N-CA 126.753 2.021 . . . . 0.0 112.31 -179.454 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.05 0 CA-C-O 118.765 -1.02 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -68.52 100.1 0.66 Allowed 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 123.933 3.089 . . . . 0.0 109.077 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -136.96 88.57 2.37 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 124.583 1.153 . . . . 0.0 108.788 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.91 98.16 0.12 Allowed Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m -149.28 172.78 14.32 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.91 1.684 . . . . 0.0 106.847 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.62 87.17 2.39 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 123.779 0.832 . . . . 0.0 108.863 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -162.17 136.66 6.8 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 126.422 1.889 . . . . 0.0 107.297 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 66.0 m -67.66 131.69 46.07 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.8 m -151.84 165.92 33.03 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.077 1.351 . . . . 0.0 107.675 179.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.54 HD13 ' HB3' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -54.31 -25.52 13.9 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 CA-C-O 117.253 -1.356 . . . . 0.0 113.349 -178.771 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 m -56.06 -45.6 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 120.051 1.296 . . . . 0.0 110.244 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 t -67.5 -41.08 85.05 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.285 0.634 . . . . 0.0 109.68 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.54 ' HB3' HD13 ' A' ' 10' ' ' ILE . 60.2 t80 -62.46 -48.14 80.95 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.566 ' HE2' HD13 ' A' ' 58' ' ' ILE . 5.7 m-30 -60.71 -39.04 87.09 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 117.853 -1.07 . . . . 0.0 110.715 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.9 -37.43 84.59 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 118.533 0.606 . . . . 0.0 109.626 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.6 mtm105 -75.3 -38.08 60.49 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.046 0.384 . . . . 0.0 110.379 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.7 mt -64.01 -41.15 97.55 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.3 6.3 20.28 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 125.928 1.728 . . . . 0.0 111.756 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.2 m -59.4 158.7 9.04 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.037 1.419 . . . . 0.0 111.018 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.0 t -133.06 -90.1 0.4 Allowed 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.85 -32.42 44.57 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.172 1.789 . . . . 0.0 113.102 -178.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.5 m -68.49 -26.85 65.67 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.25 -0.906 . . . . 0.0 111.824 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.83 -43.1 76.19 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.65 -45.61 88.95 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 126.105 1.762 . . . . 0.0 110.512 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -61.47 -53.99 49.26 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.72 -49.26 73.52 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.3 p -64.52 -39.02 93.01 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.036 0.934 . . . . 0.0 111.144 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.9 m -67.73 -37.39 82.12 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -74.58 -20.02 60.09 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.761 0.71 . . . . 0.0 110.24 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.69 35.33 91.88 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 127.132 2.301 . . . . 0.0 113.861 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.87 18.76 10.18 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.527 1.531 . . . . 0.0 113.248 -178.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.17 119.32 24.87 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.53 149.38 25.39 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.2 mt -79.14 -56.04 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 122.543 1.163 . . . . 0.0 112.634 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -62.59 -25.97 68.36 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 125.964 1.705 . . . . 0.0 113.611 -177.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -76.47 -53.75 7.68 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.525 HD12 HD11 ' A' ' 58' ' ' ILE . 24.5 pt -62.95 -14.26 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 118.788 0.722 . . . . 0.0 112.629 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -76.4 -20.11 57.46 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.993 0.917 . . . . 0.0 109.8 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -115.07 -23.06 9.21 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.823 1.649 . . . . 0.0 111.382 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -79.11 100.77 7.54 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 103.546 -2.761 . . . . 0.0 103.546 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.3 m -64.18 175.05 1.36 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.527 1.131 . . . . 0.0 112.183 -179.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 60.9 mtm -59.91 -28.75 67.86 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 120.883 -1.136 . . . . 0.0 110.74 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.15 -43.16 99.32 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.703 0.801 . . . . 0.0 109.288 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.15 -51.57 63.21 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 124.108 0.963 . . . . 0.0 109.024 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.7 mt -55.93 -45.73 78.67 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 123.786 0.834 . . . . 0.0 110.614 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.53 98.79 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 t -64.27 -29.08 70.18 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.591 -0.693 . . . . 0.0 110.51 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 mt -80.97 13.1 2.87 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.829 2.052 . . . . 0.0 111.35 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? 68.1 16.37 9.46 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 127.098 2.159 . . . . 0.0 112.675 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.9 mm -73.39 122.34 87.38 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -66.54 135.36 38.82 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.324 2.682 . . . . 0.0 110.893 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -41.22 -45.82 2.97 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.367 1.867 . . . . 0.0 115.149 -177.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -55.66 -51.39 67.42 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.97 0.908 . . . . 0.0 112.613 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -81.62 -43.9 17.97 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.12 0.968 . . . . 0.0 109.641 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.8 tmm_? -48.14 -53.43 16.75 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 126.756 2.022 . . . . 0.0 109.93 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -65.39 -30.67 71.51 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.318 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.81 -51.45 55.46 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 119.751 1.16 . . . . 0.0 111.485 -179.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.566 HD13 ' HE2' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -63.13 -52.36 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.849 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -55.97 -50.9 69.51 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 110.183 -178.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -57.15 -39.41 75.18 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 117.432 -1.271 . . . . 0.0 109.241 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.81 -51.18 59.02 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-N 119.692 1.133 . . . . 0.0 114.459 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.3 tt -70.79 -41.35 77.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-N 118.733 1.267 . . . . 0.0 110.552 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.68 -35.49 74.56 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.35 -31.52 64.01 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 125.616 1.566 . . . . 0.0 111.293 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -67.2 -50.22 61.72 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -69.07 -37.26 78.4 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 117.915 -1.514 . . . . 0.0 108.917 179.385 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.449 ' N ' ' HG2' ' A' ' 66' ' ' ARG . 22.7 tp60 -67.34 -19.7 65.48 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 124.266 0.979 . . . . 0.0 111.86 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.72 -34.23 14.01 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.662 1.119 . . . . 0.0 108.607 177.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -80.23 -179.91 7.32 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.653 1.181 . . . . 0.0 108.119 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 . . . . . 0 C--O 1.249 1.027 0 C-N-CA 125.796 1.638 . . . . 0.0 106.908 178.68 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.602 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.86 114.9 4.14 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 122.324 2.016 . . . . 0.0 107.647 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.1 mp -97.79 -178.63 4.16 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.2 -81.23 0.04 OUTLIER Glycine 0 C--N 1.332 0.344 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 m 52.29 57.08 6.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.244 0.618 . . . . 0.0 111.108 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.67 -0.3 23.76 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.107 0.963 . . . . 0.0 110.614 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -68.76 130.24 42.26 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.358 1.463 . . . . 0.0 114.0 -178.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 91.3 m -79.36 96.45 6.0 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.7 m -165.28 171.85 13.07 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 126.436 1.894 . . . . 0.0 109.364 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.501 HD11 ' CD1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -58.63 -28.43 36.85 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.333 178.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 m -52.92 -43.08 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 CA-C-N 118.922 0.783 . . . . 0.0 111.084 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -64.08 -41.28 97.37 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.856 0.462 . . . . 0.0 109.837 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -68.45 -48.81 63.58 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -60.04 -39.74 86.95 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 121.1 -1.0 . . . . 0.0 109.458 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.51 -38.18 88.94 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -64.23 -45.1 89.69 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.379 0.991 . . . . 0.0 108.48 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.2 mt -66.18 -23.98 66.55 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.059 0.845 . . . . 0.0 111.125 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.22 38.67 7.69 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 108.393 -1.883 . . . . 0.0 108.393 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.1 m -73.47 161.02 30.86 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.083 0.942 . . . . 0.0 110.761 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.4 t -127.8 -101.38 0.34 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 m -52.57 -29.92 28.1 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.56 1.544 . . . . 0.0 114.052 -178.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.3 m -62.58 -36.04 81.42 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.07 0.395 . . . . 0.0 111.071 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -38.82 82.19 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.091 0.956 . . . . 0.0 108.881 -179.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -63.85 -50.84 67.26 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.904 1.682 . . . . 0.0 108.803 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -56.88 -48.81 77.3 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.565 0.62 . . . . 0.0 109.479 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.29 -45.4 91.36 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.5 t -72.02 -34.53 68.91 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 118.307 0.503 . . . . 0.0 110.533 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.4 -36.95 84.14 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.378 0.99 . . . . 0.0 109.197 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -76.82 -27.19 55.09 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 118.774 -0.631 . . . . 0.0 111.952 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.02 37.85 49.12 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 123.89 0.757 . . . . 0.0 112.69 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.67 28.67 2.67 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.895 1.278 . . . . 0.0 112.457 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . 0.273 3.6 t -84.8 116.68 23.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 120.914 -1.116 . . . . 0.0 109.98 -177.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.484 HG23 ' HB2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -157.09 147.73 21.43 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 121.398 -0.813 . . . . 0.0 111.408 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 mt -79.91 -51.52 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 122.62 1.2 . . . . 0.0 109.761 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -56.67 -27.35 58.53 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 126.676 1.99 . . . . 0.0 111.953 -177.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.484 ' HB2' HG23 ' A' ' 33' ' ' THR . 19.4 mm100 -82.18 -51.14 8.25 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 117.71 -1.138 . . . . 0.0 110.459 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.501 ' CD1' HD11 ' A' ' 10' ' ' ILE . 44.7 pt -60.72 -23.31 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 119.592 1.087 . . . . 0.0 110.831 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.03 -29.81 65.63 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.434 1.094 . . . . 0.0 109.252 178.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -114.73 -23.11 9.36 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.999 0.919 . . . . 0.0 112.637 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.441 ' HB2' ' HA ' ' A' ' 37' ' ' ILE . 8.6 m-85 -73.74 105.7 5.16 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 105.669 -1.974 . . . . 0.0 105.669 177.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 m -74.05 177.29 5.79 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.445 -0.785 . . . . 0.0 109.744 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -51.5 -22.23 3.0 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -68.6 -48.37 64.32 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.941 1.246 . . . . 0.0 109.626 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -46.15 89.08 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.7 mp -56.95 -43.24 81.35 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.86 -48.3 81.16 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.694 -1.254 . . . . 0.0 109.915 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.0 m -65.48 -20.55 66.4 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.394 -0.816 . . . . 0.0 112.258 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.1 mt -89.16 15.8 8.25 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.253 1.421 . . . . 0.0 111.592 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 71.11 25.65 3.63 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 127.139 2.176 . . . . 0.0 112.401 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.8 mm -100.12 98.65 7.91 Favored Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 105.606 -1.998 . . . . 0.0 105.606 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.55 158.18 44.09 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.173 2.582 . . . . 0.0 110.888 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -37.39 12.08 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.031 1.333 . . . . 0.0 113.438 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -54.53 -24.25 19.97 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.852 2.061 . . . . 0.0 113.322 -178.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -127.83 -40.65 1.7 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.337 1.055 . . . . 0.0 109.989 178.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -47.33 -40.72 17.81 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 126.638 1.975 . . . . 0.0 111.658 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -64.16 -31.4 72.58 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 117.496 -1.24 . . . . 0.0 110.767 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.16 -48.85 31.88 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 120.049 1.295 . . . . 0.0 111.479 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 tt -60.66 -52.84 56.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -62.62 -56.13 20.65 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 123.725 0.641 . . . . 0.0 110.557 -177.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -57.87 -40.54 80.44 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 118.465 -0.779 . . . . 0.0 110.847 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.3 -49.25 80.67 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 119.329 0.968 . . . . 0.0 112.971 -178.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.76 -41.03 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 122.062 -0.669 . . . . 0.0 109.275 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.22 -32.59 73.28 Favored 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -72.03 -37.17 69.78 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.31 1.044 . . . . 0.0 109.458 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -67.36 -56.98 7.48 Favored 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 125.025 1.33 . . . . 0.0 109.347 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.62 -31.48 72.33 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 123.594 0.559 . . . . 0.0 110.491 -179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -72.1 -38.66 69.29 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 118.536 0.607 . . . . 0.0 110.276 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.5 mt -93.46 -3.72 52.54 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -160.17 116.78 2.46 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.374 1.07 . . . . 0.0 109.175 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 C--O 1.246 0.872 0 C-N-CA 125.197 1.399 . . . . 0.0 107.49 179.387 . . . . . . . . 0 0 . 1 stop_ save_